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

C20H14ClNO2 — CID 3665760

IUPAC3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)C(=Cc1ccccc1Cl)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)
InChIKeyDBLZUTWTBPGNJZ-UHFFFAOYSA-N
MW335.79 g/mol
LogP5.07
Rot. Bonds2

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

3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 3665760) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
PubChem CID3665760
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccccc13)C(=Cc1ccccc1Cl)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)
InChIKeyDBLZUTWTBPGNJZ-UHFFFAOYSA-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

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Related Compounds

3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 5009990
(3Z)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 75409701
2-oxopropyl (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8661945
cyanomethyl (3E)-3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
CID 8661944
3-[(2-chlorophenyl)methylidene]-N-(cyanomethyl)-N-methyl-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 72684102
(3Z)-3-[(2-chlorophenyl)methylidene]-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 93233617
(3Z)-3-[(2-chlorophenyl)methylidene]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide;2,2,2-trifluoroacetic acid
CID 166199104
(4Z)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 86767876
(3E)-3-(thiophen-3-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
CID 8863644
(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
CID 6245839
1-[(4Z)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carbonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99174308
[2-(methylamino)-2-oxoethyl] (4E)-4-[(2-chlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
CID 8661946

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid (CID 3665760) is 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3ccccc13)C(=Cc1ccccc1Cl)CC2.
What is the InChIKey of 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is DBLZUTWTBPGNJZ-UHFFFAOYSA-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).
What are the key properties of 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid?
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 3-[(2-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 3665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).