4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid

C20H15N3O3 — CID 22021853

IUPAC4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(c(C4CC4)nc4ccccc43)c2=O)cc1
InChIInChI=1S/C20H15N3O3/c24-19-16-17(11-5-6-11)21-15-4-2-1-3-14(15)18(16)22-23(19)13-9-7-12(8-10-13)20(25)26/h1-4,7-11,22H,5-6H2,(H,25,26)
InChIKeyDPTADFJZKMRPGK-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.44
Rot. Bonds3

About 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid

4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid (PubChem CID 22021853) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
PubChem CID22021853
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(c(C4CC4)nc4ccccc43)c2=O)cc1
InChIInChI=1S/C20H15N3O3/c24-19-16-17(11-5-6-11)21-15-4-2-1-3-14(15)18(16)22-23(19)13-9-7-12(8-10-13)20(25)26/h1-4,7-11,22H,5-6H2,(H,25,26)
InChIKeyDPTADFJZKMRPGK-UHFFFAOYSA-N
XLogP3.44
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The IUPAC name of 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid (CID 22021853) is 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid.
What is the SMILES notation for 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The canonical SMILES for 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid is O=C(O)c1ccc(-n2[nH]c3c(c(C4CC4)nc4ccccc43)c2=O)cc1.
What is the InChIKey of 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The InChIKey is DPTADFJZKMRPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-19-16-17(11-5-6-11)21-15-4-2-1-3-14(15)18(16)22-23(19)13-9-7-12(8-10-13)20(25)26/h1-4,7-11,22H,5-6H2,(H,25,26).
What are the key properties of 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid has a molecular weight of 345.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid is sourced from PubChem (CID 22021853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).