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

C24H23ClN4O2 — CID 53132542

IUPAC2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C24H23ClN4O2/c1-2-17-5-3-4-12-28(17)23(30)15-6-11-21-19(13-15)22-20(14-26-21)24(31)29(27-22)18-9-7-16(25)8-10-18/h6-11,13-14,17,27H,2-5,12H2,1H3
InChIKeyMLHLTOMCYQDDQJ-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.93
Rot. Bonds3

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

2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 53132542) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID53132542
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1
InChIInChI=1S/C24H23ClN4O2/c1-2-17-5-3-4-12-28(17)23(30)15-6-11-21-19(13-15)22-20(14-26-21)24(31)29(27-22)18-9-7-16(25)8-10-18/h6-11,13-14,17,27H,2-5,12H2,1H3
InChIKeyMLHLTOMCYQDDQJ-UHFFFAOYSA-N
XLogP4.93
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.93
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-[(2R)-2-ethylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246257
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
2-(4-ethylphenyl)-8-[(3R)-3-methylpiperidine-1-carbonyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 98246244
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[2-[(4-chlorophenyl)methylamino]pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109257700
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587473
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3832897

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 53132542) is 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is CCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is MLHLTOMCYQDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-2-17-5-3-4-12-28(17)23(30)15-6-11-21-19(13-15)22-20(14-26-21)24(31)29(27-22)18-9-7-16(25)8-10-18/h6-11,13-14,17,27H,2-5,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 434.93 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-(2-ethylpiperidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 53132542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).