3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid

C24H18N2O4 — CID 70830776

IUPAC3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
SMILESCc1cccc(Cn2cc(C(=O)c3cccc(C(=O)O)c3)c(=O)c3ccccc32)n1
InChIInChI=1S/C24H18N2O4/c1-15-6-4-9-18(25-15)13-26-14-20(23(28)19-10-2-3-11-21(19)26)22(27)16-7-5-8-17(12-16)24(29)30/h2-12,14H,13H2,1H3,(H,29,30)
InChIKeyRAGIZUIDWVTDTG-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.68
Rot. Bonds5

About 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid

3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid (PubChem CID 70830776) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
PubChem CID70830776
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid
SMILESCc1cccc(Cn2cc(C(=O)c3cccc(C(=O)O)c3)c(=O)c3ccccc32)n1
InChIInChI=1S/C24H18N2O4/c1-15-6-4-9-18(25-15)13-26-14-20(23(28)19-10-2-3-11-21(19)26)22(27)16-7-5-8-17(12-16)24(29)30/h2-12,14H,13H2,1H3,(H,29,30)
InChIKeyRAGIZUIDWVTDTG-UHFFFAOYSA-N
XLogP3.68
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid?
The IUPAC name of 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid (CID 70830776) is 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid.
What is the SMILES notation for 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid?
The canonical SMILES for 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid is Cc1cccc(Cn2cc(C(=O)c3cccc(C(=O)O)c3)c(=O)c3ccccc32)n1.
What is the InChIKey of 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid?
The InChIKey is RAGIZUIDWVTDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-15-6-4-9-18(25-15)13-26-14-20(23(28)19-10-2-3-11-21(19)26)22(27)16-7-5-8-17(12-16)24(29)30/h2-12,14H,13H2,1H3,(H,29,30).
What are the key properties of 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid?
3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid has a molecular weight of 398.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-methyl-2-pyridinyl)methyl]-4-oxoquinoline-3-carbonyl]benzoic acid is sourced from PubChem (CID 70830776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).