6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

C19H16N2O4 — CID 18073446

IUPAC6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(NC(C)=O)ccc3n2)c1
InChIInChI=1S/C19H16N2O4/c1-11(22)20-13-6-7-17-15(9-13)16(19(23)24)10-18(21-17)12-4-3-5-14(8-12)25-2/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyIMTFJCDXOKTUHE-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.57
Rot. Bonds4

About 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 18073446) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID18073446
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)c3cc(NC(C)=O)ccc3n2)c1
InChIInChI=1S/C19H16N2O4/c1-11(22)20-13-6-7-17-15(9-13)16(19(23)24)10-18(21-17)12-4-3-5-14(8-12)25-2/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyIMTFJCDXOKTUHE-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
6-(dimethylsulfamoyl)-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 3889769
2-(3-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4744706
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate
CID 5103273
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
6-ethyl-2-(3-methoxyphenyl)quinoline-4-carbonyl chloride
CID 46779788
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid (CID 18073446) is 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is COc1cccc(-c2cc(C(=O)O)c3cc(NC(C)=O)ccc3n2)c1.
What is the InChIKey of 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is IMTFJCDXOKTUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(22)20-13-6-7-17-15(9-13)16(19(23)24)10-18(21-17)12-4-3-5-14(8-12)25-2/h3-10H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid?
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 18073446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).