2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

C22H19ClN4O3 — CID 98246263

IUPAC2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C22H19ClN4O3/c23-14-4-6-15(7-5-14)27-22(29)18-12-24-19-8-3-13(10-17(19)20(18)26-27)21(28)25-11-16-2-1-9-30-16/h3-8,10,12,16,26H,1-2,9,11H2,(H,25,28)/t16-/m1/s1
InChIKeyDHYPCVFICRYZKU-MRXNPFEDSA-N
MW422.87 g/mol
LogP3.43
Rot. Bonds4

About 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide

2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 98246263) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
PubChem CID98246263
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC Name2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C22H19ClN4O3/c23-14-4-6-15(7-5-14)27-22(29)18-12-24-19-8-3-13(10-17(19)20(18)26-27)21(28)25-11-16-2-1-9-30-16/h3-8,10,12,16,26H,1-2,9,11H2,(H,25,28)/t16-/m1/s1
InChIKeyDHYPCVFICRYZKU-MRXNPFEDSA-N
XLogP3.43
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide (CID 98246263) is 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is O=C(NC[C@H]1CCCO1)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
The InChIKey is DHYPCVFICRYZKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c23-14-4-6-15(7-5-14)27-22(29)18-12-24-19-8-3-13(10-17(19)20(18)26-27)21(28)25-11-16-2-1-9-30-16/h3-8,10,12,16,26H,1-2,9,11H2,(H,25,28)/t16-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide?
2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 98246263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).