6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid

C18H13ClN2O3 — CID 18073438

IUPAC6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)20-13-6-7-16-14(8-13)15(18(23)24)9-17(21-16)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,20,22)(H,23,24)
InChIKeyBAJYZJUUDKBHDZ-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.21
Rot. Bonds3

About 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid

6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid (PubChem CID 18073438) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
PubChem CID18073438
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2c1
InChIInChI=1S/C18H13ClN2O3/c1-10(22)20-13-6-7-16-14(8-13)15(18(23)24)9-17(21-16)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,20,22)(H,23,24)
InChIKeyBAJYZJUUDKBHDZ-UHFFFAOYSA-N
XLogP4.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
N-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]-2-methoxyacetamide
CID 53001321
N-(3,4-dichlorophenyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 3131018

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid (CID 18073438) is 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid is CC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The InChIKey is BAJYZJUUDKBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-10(22)20-13-6-7-16-14(8-13)15(18(23)24)9-17(21-16)11-2-4-12(19)5-3-11/h2-9H,1H3,(H,20,22)(H,23,24).
What are the key properties of 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).