2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid

C19H16N2O3 — CID 2731705

IUPAC2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1
InChIInChI=1S/C19H16N2O3/c1-11-3-8-15-16(19(23)24)10-17(21-18(15)9-11)13-4-6-14(7-5-13)20-12(2)22/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyBFULJIYHWJLHDO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.87
Rot. Bonds3

About 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid

2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid (PubChem CID 2731705) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid
PubChem CID2731705
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1
InChIInChI=1S/C19H16N2O3/c1-11-3-8-15-16(19(23)24)10-17(21-18(15)9-11)13-4-6-14(7-5-13)20-12(2)22/h3-10H,1-2H3,(H,20,22)(H,23,24)
InChIKeyBFULJIYHWJLHDO-UHFFFAOYSA-N
XLogP3.87
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid (CID 2731705) is 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid is CC(=O)Nc1ccc(-c2cc(C(=O)O)c3ccc(C)cc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid?
The InChIKey is BFULJIYHWJLHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-3-8-15-16(19(23)24)10-17(21-18(15)9-11)13-4-6-14(7-5-13)20-12(2)22/h3-10H,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid?
2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-7-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 2731705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).