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

C24H24N4O2 — CID 53132467

IUPAC8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H24N4O2/c1-2-17-8-6-7-13-27(17)23(29)16-11-12-21-19(14-16)22-20(15-25-21)24(30)28(26-22)18-9-4-3-5-10-18/h3-5,9-12,14-15,17,26H,2,6-8,13H2,1H3
InChIKeyRJDOMYIBKIGEQZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.27
Rot. Bonds3

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

8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 53132467) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID53132467
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1
InChIInChI=1S/C24H24N4O2/c1-2-17-8-6-7-13-27(17)23(29)16-11-12-21-19(14-16)22-20(15-25-21)24(30)28(26-22)18-9-4-3-5-10-18/h3-5,9-12,14-15,17,26H,2,6-8,13H2,1H3
InChIKeyRJDOMYIBKIGEQZ-UHFFFAOYSA-N
XLogP4.27
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.27
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
(2-ethylpiperidin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 112760191
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
[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
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 53132467) is 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is CCC1CCCCN1C(=O)c1ccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c2c1.
What is the InChIKey of 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is RJDOMYIBKIGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-17-8-6-7-13-27(17)23(29)16-11-12-21-19(14-16)22-20(15-25-21)24(30)28(26-22)18-9-4-3-5-10-18/h3-5,9-12,14-15,17,26H,2,6-8,13H2,1H3.
What are the key properties of 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 400.48 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 53132467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).