7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

C13H10ClNO2 — CID 1132009

IUPAC7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C13H10ClNO2/c14-7-4-5-11-9(6-7)12(13(16)17)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H,16,17)
InChIKeyBRXPKYDOKVSIJG-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.08
Rot. Bonds1

About 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (PubChem CID 1132009) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
PubChem CID1132009
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3ccc(Cl)cc13)CCC2
InChIInChI=1S/C13H10ClNO2/c14-7-4-5-11-9(6-7)12(13(16)17)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H,16,17)
InChIKeyBRXPKYDOKVSIJG-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cinchophen
CID 8593
3-Methyl-2-phenylquinoline-4-carboxylic acid
CID 673710
Acridine-9-carboxylic acid
CID 94721
2-Chloroquinoline-4-carboxylic acid
CID 230582
2-(5-Chlorothiophen-2-yl)quinoline-4-carboxylic acid
CID 625773
6-Chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
2-Cyclopropylquinoline-4-carboxylic acid
CID 275785
Methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-Methylquinoline-4-carboxylic acid
CID 604442
2-Chloroquinoline-3-carboxylic acid
CID 847163
6-Chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
CID 71556166
2-(4-Bromophenyl)-6-chloroquinoline-4-carboxylic acid
CID 1038445

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The IUPAC name of 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid (CID 1132009) is 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is O=C(O)c1c2c(nc3ccc(Cl)cc13)CCC2.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
The InChIKey is BRXPKYDOKVSIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-7-4-5-11-9(6-7)12(13(16)17)8-2-1-3-10(8)15-11/h4-6H,1-3H2,(H,16,17).
What are the key properties of 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid?
7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid has a molecular weight of 247.68 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid is sourced from PubChem (CID 1132009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).