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

C23H22N4O2 — CID 53132527

IUPAC2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCCC5)cc43)c2=O)cc1C
InChIInChI=1S/C23H22N4O2/c1-14-5-7-17(11-15(14)2)27-23(29)19-13-24-20-8-6-16(12-18(20)21(19)25-27)22(28)26-9-3-4-10-26/h5-8,11-13,25H,3-4,9-10H2,1-2H3
InChIKeyIHFJGKFABVJVNX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.72
Rot. Bonds2

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

2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 53132527) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID53132527
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCCC5)cc43)c2=O)cc1C
InChIInChI=1S/C23H22N4O2/c1-14-5-7-17(11-15(14)2)27-23(29)19-13-24-20-8-6-16(12-18(20)21(19)25-27)22(28)26-9-3-4-10-26/h5-8,11-13,25H,3-4,9-10H2,1-2H3
InChIKeyIHFJGKFABVJVNX-UHFFFAOYSA-N
XLogP3.72
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.72
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

N-cyclohexyl-2-(3,4-dimethylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132495
8-(2-ethylpiperidine-1-carbonyl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 53132467
N-(2-hydroxyethyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132469
2-(4-fluorophenyl)-N-(4-methylcyclohexyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132415
N-(3-methylphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
CID 53132480
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
piperidin-1-yl-(4-pyrrolidin-1-ylquinazolin-6-yl)methanone
CID 71842473
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
4-(3,4-dimethylbenzoyl)-1,4-diazepan-2-one
CID 62896266
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 53132527) is 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(-n2[nH]c3c(cnc4ccc(C(=O)N5CCCC5)cc43)c2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is IHFJGKFABVJVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-5-7-17(11-15(14)2)27-23(29)19-13-24-20-8-6-16(12-18(20)21(19)25-27)22(28)26-9-3-4-10-26/h5-8,11-13,25H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 386.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-8-(pyrrolidine-1-carbonyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 53132527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).