4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid

C19H16N2O4 — CID 10806772

IUPAC4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(NC(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)18(22)20-13-7-8-15-14(9-13)17(25-2)10-16(21-15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyFCMRMLLOLIWOEE-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.50
Rot. Bonds4

About 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid

4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid (PubChem CID 10806772) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
PubChem CID10806772
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid
SMILESCOc1cc(C(=O)O)nc2ccc(NC(=O)c3ccc(C)cc3)cc12
InChIInChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)18(22)20-13-7-8-15-14(9-13)17(25-2)10-16(21-15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyFCMRMLLOLIWOEE-UHFFFAOYSA-N
XLogP3.50
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
CID 44534346
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
2-(dimethylamino)-6-[(4-methylbenzoyl)amino]quinoline-4-carboxylic acid
CID 50783034
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]-2-methylpropanamide
CID 53113425
methyl 2-[6-[(4-chlorobenzoyl)amino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 53113515
N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
CID 56690013
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
N-[4-(2-amino-2-oxoethoxy)-2-(4-chlorophenyl)quinolin-6-yl]-4-methylbenzamide
CID 53113532

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid?
The IUPAC name of 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid (CID 10806772) is 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid?
The canonical SMILES for 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid is COc1cc(C(=O)O)nc2ccc(NC(=O)c3ccc(C)cc3)cc12.
What is the InChIKey of 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid?
The InChIKey is FCMRMLLOLIWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-3-5-12(6-4-11)18(22)20-13-7-8-15-14(9-13)17(25-2)10-16(21-15)19(23)24/h3-10H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid?
4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(4-methylbenzoyl)amino]quinoline-2-carboxylic acid is sourced from PubChem (CID 10806772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).