4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid

C18H15N3O4 — CID 146027003

IUPAC4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
SMILESCNc1cccc2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyVUXYPRAXFABKBH-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.52
Rot. Bonds4

About 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid

4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid (PubChem CID 146027003) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
PubChem CID146027003
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
SMILESCNc1cccc2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12
InChIInChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25)
InChIKeyVUXYPRAXFABKBH-UHFFFAOYSA-N
XLogP2.52
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid (CID 146027003) is 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid is CNc1cccc2cc(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)[nH]c12.
What is the InChIKey of 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
The InChIKey is VUXYPRAXFABKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-19-14-4-2-3-11-9-13(17(23)21-15(11)14)16(22)20-12-7-5-10(6-8-12)18(24)25/h2-9,19H,1H3,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid?
4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid has a molecular weight of 337.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 146027003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).