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

C17H12N2O5 — CID 146313897

IUPAC4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3cccc(O)c3[nH]c2=O)cc1
InChIInChI=1S/C17H12N2O5/c20-13-3-1-2-10-8-12(16(22)19-14(10)13)15(21)18-11-6-4-9(5-7-11)17(23)24/h1-8,20H,(H,18,21)(H,19,22)(H,23,24)
InChIKeyCIQKJFPQUHAMKO-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.18
Rot. Bonds3

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

4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (PubChem CID 146313897) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
PubChem CID146313897
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc3cccc(O)c3[nH]c2=O)cc1
InChIInChI=1S/C17H12N2O5/c20-13-3-1-2-10-8-12(16(22)19-14(10)13)15(21)18-11-6-4-9(5-7-11)17(23)24/h1-8,20H,(H,18,21)(H,19,22)(H,23,24)
InChIKeyCIQKJFPQUHAMKO-UHFFFAOYSA-N
XLogP2.18
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
CID 140508403
2-[(4-carboxyphenyl)carbamoyl]benzoic acid
CID 746560
8-hydroxy-3-iodo-1H-quinolin-2-one
CID 91200284
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
4-[(2,3,5-triiodobenzoyl)amino]benzoic acid
CID 63405162
5-iodo-6-methyl-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 125490765
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
4-[(4-hydroxy-3,5-diiodobenzoyl)amino]benzoic acid
CID 3027490
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955

Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (CID 146313897) is 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cc3cccc(O)c3[nH]c2=O)cc1.
What is the InChIKey of 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The InChIKey is CIQKJFPQUHAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-13-3-1-2-10-8-12(16(22)19-14(10)13)15(21)18-11-6-4-9(5-7-11)17(23)24/h1-8,20H,(H,18,21)(H,19,22)(H,23,24).
What are the key properties of 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid has a molecular weight of 324.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 146313897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).