4-chloro-2-ethylquinoline-7-carboxylic acid

C12H10ClNO2 — CID 126753847

IUPAC4-chloro-2-ethylquinoline-7-carboxylic acid
SMILESCCc1cc(Cl)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C12H10ClNO2/c1-2-8-6-10(13)9-4-3-7(12(15)16)5-11(9)14-8/h3-6H,2H2,1H3,(H,15,16)
InChIKeyNTYWONJJMOGJKR-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.15
Rot. Bonds2

About 4-chloro-2-ethylquinoline-7-carboxylic acid

4-chloro-2-ethylquinoline-7-carboxylic acid (PubChem CID 126753847) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-ethylquinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-chloro-2-ethylquinoline-7-carboxylic acid
PubChem CID126753847
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name4-chloro-2-ethylquinoline-7-carboxylic acid
SMILESCCc1cc(Cl)c2ccc(C(=O)O)cc2n1
InChIInChI=1S/C12H10ClNO2/c1-2-8-6-10(13)9-4-3-7(12(15)16)5-11(9)14-8/h3-6H,2H2,1H3,(H,15,16)
InChIKeyNTYWONJJMOGJKR-UHFFFAOYSA-N
XLogP3.15
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-ethylbenzoic acid
CID 21412279
4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
CID 768486
2,4-dimethylquinazoline-7-carboxylic acid
CID 143096640
3-(4-chloroquinolin-2-yl)-2-[(4-chloroquinolin-2-yl)methyl]-1-phenylpropan-1-one
CID 132915470
10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668416
methyl 4-[(4-chloroquinolin-2-yl)methyl]benzoate
CID 10543090
5-chloro-7-hydroxynaphthalene-2-carboxylic acid
CID 139998585
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
2-amino-4-methylquinoline-7-carboxylic acid
CID 14359530
2-ethyl-1,3-benzothiazole-5-carboxylic acid
CID 59426527
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
4-[[(2R)-1-hydroxybutan-2-yl]amino]-2-methylquinoline-7-carboxylic acid
CID 7138077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethylquinoline-7-carboxylic acid?
The IUPAC name of 4-chloro-2-ethylquinoline-7-carboxylic acid (CID 126753847) is 4-chloro-2-ethylquinoline-7-carboxylic acid.
What is the SMILES notation for 4-chloro-2-ethylquinoline-7-carboxylic acid?
The canonical SMILES for 4-chloro-2-ethylquinoline-7-carboxylic acid is CCc1cc(Cl)c2ccc(C(=O)O)cc2n1.
What is the InChIKey of 4-chloro-2-ethylquinoline-7-carboxylic acid?
The InChIKey is NTYWONJJMOGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-2-8-6-10(13)9-4-3-7(12(15)16)5-11(9)14-8/h3-6H,2H2,1H3,(H,15,16).
What are the key properties of 4-chloro-2-ethylquinoline-7-carboxylic acid?
4-chloro-2-ethylquinoline-7-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethylquinoline-7-carboxylic acid is sourced from PubChem (CID 126753847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).