(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

C20H14ClNO2 — CID 6516600

IUPAC(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2
InChIInChI=1S/C20H14ClNO2/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(20(23)24)14-6-2-4-8-17(14)22-19(13)15/h1-8,11H,9-10H2,(H,23,24)/b13-11+
InChIKeyDBLZUTWTBPGNJZ-ACCUITESSA-N
MW335.79 g/mol
LogP5.07
Rot. Bonds2

About (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 6516600) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID6516600
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2
InChIInChI=1S/C20H14ClNO2/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(20(23)24)14-6-2-4-8-17(14)22-19(13)15/h1-8,11H,9-10H2,(H,23,24)/b13-11+
InChIKeyDBLZUTWTBPGNJZ-ACCUITESSA-N
XLogP5.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid 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 (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 6516600) is (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1Cl)CC2.
What is the InChIKey of (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is DBLZUTWTBPGNJZ-ACCUITESSA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(20(23)24)14-6-2-4-8-17(14)22-19(13)15/h1-8,11H,9-10H2,(H,23,24)/b13-11+.
What are the key properties of (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
(3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 335.79 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 6516600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).