General Information of the Compound
Compound ID
CP0324832
Compound Name
10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
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Structure
Formula
C16H9IN2O2
Molecular Weight
388.164
Canonical SMILES
OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
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InChI
InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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InChIKey
SDRAETFVRBBLOB-UHFFFAOYSA-N
Physicochemical Property
logP
4.1721
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 91664021
ChEMBL ID
CHEMBL3589662