4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one

C23H21N3O — CID 135833495

IUPAC4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
SMILESCc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(-c4ccccc4)c32)cc1
InChIInChI=1S/C23H21N3O/c1-14-10-12-15(13-11-14)19-20-17(8-5-9-18(20)27)24-23-21(19)22(25-26-23)16-6-3-2-4-7-16/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H2,24,25,26)
InChIKeyJNUUAJLHSLNTMZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.95
Rot. Bonds2

About 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one

4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one (PubChem CID 135833495) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
PubChem CID135833495
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
SMILESCc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(-c4ccccc4)c32)cc1
InChIInChI=1S/C23H21N3O/c1-14-10-12-15(13-11-14)19-20-17(8-5-9-18(20)27)24-23-21(19)22(25-26-23)16-6-3-2-4-7-16/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H2,24,25,26)
InChIKeyJNUUAJLHSLNTMZ-UHFFFAOYSA-N
XLogP4.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one with MolForge

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Related Compounds

(4R)-3-(4-methylphenyl)-4-thiophen-2-yl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 136833708
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
(4S)-7,7-dimethyl-3-(4-methylphenyl)-4-(4-nitrophenyl)-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136878482
(4S)-3-(4-methoxyphenyl)-7,7-dimethyl-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136750801
(4S)-7,7-dimethyl-3-(4-nitrophenyl)-4-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136864981
(5R)-5-(4-methylphenyl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 27881073
4-(4-methylphenyl)-3,6-diphenyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 135548155
(4R)-4-(3-bromophenyl)-7,7-dimethyl-3-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136750804
(4R)-7,7-dimethyl-3-(4-methylphenyl)-4-thiophen-2-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136833710
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
3-methyl-4-[4-(3-methyl-5-oxo-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-4-yl)phenyl]-1-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-b]quinolin-5-one
CID 135765340
(4R)-4-(2-methoxyphenyl)-7,7-dimethyl-3-phenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 136829561

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The IUPAC name of 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one (CID 135833495) is 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one.
What is the SMILES notation for 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The canonical SMILES for 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one is Cc1ccc(C2C3=C(CCCC3=O)Nc3n[nH]c(-c4ccccc4)c32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
The InChIKey is JNUUAJLHSLNTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14-10-12-15(13-11-14)19-20-17(8-5-9-18(20)27)24-23-21(19)22(25-26-23)16-6-3-2-4-7-16/h2-4,6-7,10-13,19H,5,8-9H2,1H3,(H2,24,25,26).
What are the key properties of 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one?
4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one has a molecular weight of 355.44 g/mol, XLogP of 4.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-phenyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one is sourced from PubChem (CID 135833495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).