3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid

C15H12ClNO2 — CID 67961181

IUPAC3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1
InChIInChI=1S/C15H12ClNO2/c16-12-8-17-13-6-5-10(15(18)19)7-11(13)14(12)9-3-1-2-4-9/h3,5-8H,1-2,4H2,(H,18,19)
InChIKeyDERXFGFZPVCPIJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP4.15
Rot. Bonds2

About 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid

3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid (PubChem CID 67961181) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid
PubChem CID67961181
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1
InChIInChI=1S/C15H12ClNO2/c16-12-8-17-13-6-5-10(15(18)19)7-11(13)14(12)9-3-1-2-4-9/h3,5-8H,1-2,4H2,(H,18,19)
InChIKeyDERXFGFZPVCPIJ-UHFFFAOYSA-N
XLogP4.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylate
CID 67961180
methyl 3-chloro-4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961149
3-chloro-4-(4-isocyanophenyl)quinoline-6-carboxylic acid
CID 88533177
4-(2,4-dichlorophenyl)-3-methylquinoline-6-carboxylic acid
CID 67961044
4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid
CID 67960999
methyl 3,4-dichloroquinoline-6-carboxylate
CID 67773511
6-chloro-2-(cyclohexen-1-yl)quinoline-5-carboxylic acid
CID 118556115
methyl 3-chloro-4-pyrrolidin-1-ylquinoline-6-carboxylate
CID 67775458
3-chloroquinoline-4-carboxylic acid
CID 22158738
4-(cyclohexen-1-yl)-3,5-dimethoxybenzoic acid
CID 146623160
methyl 4-(cyclohexen-1-yl)quinoline-6-carboxylate
CID 67961081
3-chloro-N-(diaminomethylidene)-4-(4-methylphenyl)quinoline-6-carboxamide
CID 67961452

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid?
The IUPAC name of 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid (CID 67961181) is 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid.
What is the SMILES notation for 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid?
The canonical SMILES for 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid is O=C(O)c1ccc2ncc(Cl)c(C3=CCCC3)c2c1.
What is the InChIKey of 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid?
The InChIKey is DERXFGFZPVCPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-8-17-13-6-5-10(15(18)19)7-11(13)14(12)9-3-1-2-4-9/h3,5-8H,1-2,4H2,(H,18,19).
What are the key properties of 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid?
3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid has a molecular weight of 273.72 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(cyclopenten-1-yl)quinoline-6-carboxylic acid is sourced from PubChem (CID 67961181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).