6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one

C22H19ClN2O — CID 118223493

IUPAC6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(Cl)ccc2-c2c(N3CCCCCC3)nc3ccccc3c21
InChIInChI=1S/C22H19ClN2O/c23-14-9-10-15-17(13-14)21(26)19-16-7-3-4-8-18(16)24-22(20(15)19)25-11-5-1-2-6-12-25/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyABPLMFPCAADULJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.48
Rot. Bonds1

About 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one

6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one (PubChem CID 118223493) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one.

Molecular Properties

Compound Name6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
PubChem CID118223493
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
SMILESO=C1c2cc(Cl)ccc2-c2c(N3CCCCCC3)nc3ccccc3c21
InChIInChI=1S/C22H19ClN2O/c23-14-9-10-15-17(13-14)21(26)19-16-7-3-4-8-18(16)24-22(20(15)19)25-11-5-1-2-6-12-25/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyABPLMFPCAADULJ-UHFFFAOYSA-N
XLogP5.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one?
The IUPAC name of 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one (CID 118223493) is 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one.
What is the SMILES notation for 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one?
The canonical SMILES for 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one is O=C1c2cc(Cl)ccc2-c2c(N3CCCCCC3)nc3ccccc3c21.
What is the InChIKey of 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one?
The InChIKey is ABPLMFPCAADULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-14-9-10-15-17(13-14)21(26)19-16-7-3-4-8-18(16)24-22(20(15)19)25-11-5-1-2-6-12-25/h3-4,7-10,13H,1-2,5-6,11-12H2.
What are the key properties of 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one?
6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one has a molecular weight of 362.86 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 118223493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).