4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid

C17H13ClN2O2 — CID 53269521

IUPAC4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
SMILESCc1c(Cl)ccc2c(Nc3ccc(C(=O)O)cc3)ccnc12
InChIInChI=1S/C17H13ClN2O2/c1-10-14(18)7-6-13-15(8-9-19-16(10)13)20-12-4-2-11(3-5-12)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyDXJQDXQCLHSVRH-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.64
Rot. Bonds3

About 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid

4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid (PubChem CID 53269521) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
PubChem CID53269521
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
SMILESCc1c(Cl)ccc2c(Nc3ccc(C(=O)O)cc3)ccnc12
InChIInChI=1S/C17H13ClN2O2/c1-10-14(18)7-6-13-15(8-9-19-16(10)13)20-12-4-2-11(3-5-12)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyDXJQDXQCLHSVRH-UHFFFAOYSA-N
XLogP4.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(4-chlorophenyl)-8-methylquinolin-4-amine
CID 43860092
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
7-chloro-8-methyl-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43860082
(E)-N-(7-chloro-8-methylquinolin-4-yl)-3-phenylprop-2-enamide
CID 43860173
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
7-chloro-N-(2,4-dimethoxyphenyl)-8-methylquinolin-4-amine
CID 43860071
4-[(3-carboxy-7-chloro-8-methylquinolin-4-yl)amino]phenolate
CID 54721977
N-(7-chloro-8-methylquinolin-4-yl)furan-2-carboxamide
CID 43860186
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
4-[(2-chloropyrimidin-4-yl)amino]benzoic acid
CID 51063735
4-(quinolin-5-ylamino)benzoic acid
CID 62230854

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid (CID 53269521) is 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid is Cc1c(Cl)ccc2c(Nc3ccc(C(=O)O)cc3)ccnc12.
What is the InChIKey of 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid?
The InChIKey is DXJQDXQCLHSVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-10-14(18)7-6-13-15(8-9-19-16(10)13)20-12-4-2-11(3-5-12)17(21)22/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid?
4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid has a molecular weight of 312.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 53269521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).