2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid

C21H19N3O4 — CID 11494579

IUPAC2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1cnn2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)
InChIKeyPCUNTWOSLIUDRR-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.95
Rot. Bonds5

About 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid

2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid (PubChem CID 11494579) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
PubChem CID11494579
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1cnn2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28)
InChIKeyPCUNTWOSLIUDRR-UHFFFAOYSA-N
XLogP2.95
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-hydroxyphenyl)propanoylamino]benzoic acid
CID 10334118
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
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2-[3-(2-nitrophenyl)propanoylamino]benzoic acid
CID 141007938
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-[3-(6-hydroxyimidazo[2,1-b][1,3]benzothiazol-2-yl)propanoylamino]benzoic acid
CID 11617852
2-(3-pyrazol-1-ylpropanoylamino)benzoic acid
CID 28788711
2-[3-(4-bromophenyl)propanoylamino]benzoic acid
CID 141007972
2-[3-(3-aminophenyl)propanoylamino]benzoic acid
CID 115341270
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
2-[3-[4-[3-(nitrosomethyl)phenyl]phenyl]propanoylamino]benzoic acid
CID 143234447
2-[3-[1-(5-hydroxy-2-pyridinyl)-5-methylpyrazol-4-yl]propanoylamino]cyclohexene-1-carboxylic acid
CID 46890237

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid (CID 11494579) is 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid is O=C(CCc1cnn2c1CCc1cc(O)ccc1-2)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
The InChIKey is PCUNTWOSLIUDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-15-7-9-18-13(11-15)5-8-19-14(12-22-24(18)19)6-10-20(26)23-17-4-2-1-3-16(17)21(27)28/h1-4,7,9,11-12,25H,5-6,8,10H2,(H,23,26)(H,27,28).
What are the key properties of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid?
2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid has a molecular weight of 377.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-3-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 11494579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).