8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

C21H21N5O — CID 58189291

IUPAC8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc2c(cc1N1CCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H21N5O/c1-14-11-16-18(12-19(14)25-9-7-22-8-10-25)23-13-17-20(16)24-26(21(17)27)15-5-3-2-4-6-15/h2-6,11-13,22,24H,7-10H2,1H3
InChIKeyKJVVBHDZYOPRIN-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.59
Rot. Bonds2

About 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one

8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 58189291) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID58189291
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1cc2c(cc1N1CCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H21N5O/c1-14-11-16-18(12-19(14)25-9-7-22-8-10-25)23-13-17-20(16)24-26(21(17)27)15-5-3-2-4-6-15/h2-6,11-13,22,24H,7-10H2,1H3
InChIKeyKJVVBHDZYOPRIN-UHFFFAOYSA-N
XLogP2.59
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.59
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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Related Compounds

ethane;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 54513102
8-fluoro-4-methyl-7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-6,8-bis(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157064486
8-fluoro-6-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 25125978
7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 160798038
N-benzyl-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132430
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
2-methyl-5-piperazin-1-ylquinazoline
CID 57444358
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132527
N-[(2-chlorophenyl)methyl]-3-oxo-2-phenyl-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132434
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
7-chloro-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 159661956
8-chloro-2-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 134508258

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 58189291) is 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1cc2c(cc1N1CCNCC1)ncc1c(=O)n(-c3ccccc3)[nH]c12.
What is the InChIKey of 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is KJVVBHDZYOPRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-11-16-18(12-19(14)25-9-7-22-8-10-25)23-13-17-20(16)24-26(21(17)27)15-5-3-2-4-6-15/h2-6,11-13,22,24H,7-10H2,1H3.
What are the key properties of 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one?
8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 359.43 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 58189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).