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

C21H19N3O4 — CID 54580748

IUPAC2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1cc2n(n1)-c1ccc(O)cc1CC2)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H19N3O4/c25-16-8-9-19-13(11-16)5-7-15-12-14(23-24(15)19)6-10-20(26)22-18-4-2-1-3-17(18)21(27)28/h1-4,8-9,11-12,25H,5-7,10H2,(H,22,26)(H,27,28)
InChIKeyPSBBUVPVZDYJHQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.95
Rot. Bonds5

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

2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid (PubChem CID 54580748) 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-2-yl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid
PubChem CID54580748
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid
SMILESO=C(CCc1cc2n(n1)-c1ccc(O)cc1CC2)Nc1ccccc1C(=O)O
InChIInChI=1S/C21H19N3O4/c25-16-8-9-19-13(11-16)5-7-15-12-14(23-24(15)19)6-10-20(26)22-18-4-2-1-3-17(18)21(27)28/h1-4,8-9,11-12,25H,5-7,10H2,(H,22,26)(H,27,28)
InChIKeyPSBBUVPVZDYJHQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid?
The IUPAC name of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid (CID 54580748) is 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid.
What is the SMILES notation for 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid?
The canonical SMILES for 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid is O=C(CCc1cc2n(n1)-c1ccc(O)cc1CC2)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid?
The InChIKey is PSBBUVPVZDYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-16-8-9-19-13(11-16)5-7-15-12-14(23-24(15)19)6-10-20(26)22-18-4-2-1-3-17(18)21(27)28/h1-4,8-9,11-12,25H,5-7,10H2,(H,22,26)(H,27,28).
What are the key properties of 2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-yl)propanoylamino]benzoic acid?
2-[3-(7-hydroxy-4,5-dihydropyrazolo[1,5-a]quinolin-2-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-2-yl)propanoylamino]benzoic acid is sourced from PubChem (CID 54580748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).