6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid

C17H13ClN2O2 — CID 174952504

IUPAC6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(NCc3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C17H13ClN2O2/c18-13-3-1-2-11(8-13)10-19-14-5-7-15-12(9-14)4-6-16(20-15)17(21)22/h1-9,19H,10H2,(H,21,22)
InChIKeyWZENJFGVICMXEL-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.20
Rot. Bonds4

About 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid

6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid (PubChem CID 174952504) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid
PubChem CID174952504
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid
SMILESO=C(O)c1ccc2cc(NCc3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C17H13ClN2O2/c18-13-3-1-2-11(8-13)10-19-14-5-7-15-12(9-14)4-6-16(20-15)17(21)22/h1-9,19H,10H2,(H,21,22)
InChIKeyWZENJFGVICMXEL-UHFFFAOYSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
5-[(3-chlorophenyl)methylamino]-6-methylpyridine-2-carboxylic acid
CID 12640232
4-[(3-chlorophenyl)methylamino]phthalic acid
CID 67019673
5-[(3-chlorophenyl)methylamino]-2-nitrobenzoic acid
CID 45444222
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[3-[(3-chlorophenyl)methylamino]phenyl]-2-hydroxyacetamide
CID 71968013
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
5-[(3-chlorophenyl)methylamino]-2-methylphenol
CID 18615765
6-[(4-chloroanilino)methyl]pyridine-2-carboxylic acid
CID 106904394
4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
2-[(3-chlorophenyl)methylamino]-1,3-benzoxazole-5-carboxylic acid
CID 69417924
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid?
The IUPAC name of 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid (CID 174952504) is 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid.
What is the SMILES notation for 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid?
The canonical SMILES for 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid is O=C(O)c1ccc2cc(NCc3cccc(Cl)c3)ccc2n1.
What is the InChIKey of 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid?
The InChIKey is WZENJFGVICMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-3-1-2-11(8-13)10-19-14-5-7-15-12(9-14)4-6-16(20-15)17(21)22/h1-9,19H,10H2,(H,21,22).
What are the key properties of 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid?
6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid has a molecular weight of 312.76 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methylamino]quinoline-2-carboxylic acid is sourced from PubChem (CID 174952504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).