2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one

C24H23ClN4O2 — CID 98246252

IUPAC2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)C1
InChIInChI=1S/C24H23ClN4O2/c1-14-9-15(2)13-28(12-14)23(30)16-3-8-21-19(10-16)22-20(11-26-21)24(31)29(27-22)18-6-4-17(25)5-7-18/h3-8,10-11,14-15,27H,9,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyVLZJSGWDHJYLJM-GJZGRUSLSA-N
MW434.93 g/mol
LogP4.64
Rot. Bonds2

About 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one

2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 98246252) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID98246252
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)C1
InChIInChI=1S/C24H23ClN4O2/c1-14-9-15(2)13-28(12-14)23(30)16-3-8-21-19(10-16)22-20(11-26-21)24(31)29(27-22)18-6-4-17(25)5-7-18/h3-8,10-11,14-15,27H,9,12-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyVLZJSGWDHJYLJM-GJZGRUSLSA-N
XLogP4.64
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132542
2-(4-chlorophenyl)-8-[(2R)-2-ethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246257
2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246244
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132527
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 40653046

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 98246252) is 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one is C[C@H]1C[C@H](C)CN(C(=O)c2ccc3ncc4c(=O)n(-c5ccc(Cl)cc5)[nH]c4c3c2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VLZJSGWDHJYLJM-GJZGRUSLSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-14-9-15(2)13-28(12-14)23(30)16-3-8-21-19(10-16)22-20(11-26-21)24(31)29(27-22)18-6-4-17(25)5-7-18/h3-8,10-11,14-15,27H,9,12-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 434.93 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 98246252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).