2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C18H17N3O — CID 66506038

IUPAC2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2ncc3c(n2n1)CC(c1ccccc1C)CC3=O
InChIInChI=1S/C18H17N3O/c1-11-5-3-4-6-14(11)13-8-16-15(17(22)9-13)10-19-18-7-12(2)20-21(16)18/h3-7,10,13H,8-9H2,1-2H3
InChIKeyPSRLKPDJYJVHJX-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.26
Rot. Bonds1

About 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 66506038) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID66506038
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2ncc3c(n2n1)CC(c1ccccc1C)CC3=O
InChIInChI=1S/C18H17N3O/c1-11-5-3-4-6-14(11)13-8-16-15(17(22)9-13)10-19-18-7-12(2)20-21(16)18/h3-7,10,13H,8-9H2,1-2H3
InChIKeyPSRLKPDJYJVHJX-UHFFFAOYSA-N
XLogP3.26
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8S)-2-methyl-8-(2-methylphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769132
6-(2-methylphenyl)-1-(4-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17067795
(6R)-6-(2-methylphenyl)-1,5,6,7-tetrahydroindazol-4-one
CID 41386744
(7S)-7-(2-methylphenyl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 28629651
(8R)-8-(2-methylphenyl)-2-phenyl-3,7,8,9-tetrahydropyrazolo[3,4-c]isoquinoline-1,6-dione
CID 41178199
3-(4-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 4970099
2-(benzylamino)-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 16584123
(9S)-3-amino-9-(2-methylphenyl)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135895004
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
(7R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-7-(2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 41386820
2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66508115
15-benzyl-7-methyl-4,8,9,15-tetrazatetracyclo[10.2.1.02,10.05,9]pentadeca-2(10),3,5,7-tetraene
CID 46960262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 66506038) is 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1cc2ncc3c(n2n1)CC(c1ccccc1C)CC3=O.
What is the InChIKey of 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is PSRLKPDJYJVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-5-3-4-6-14(11)13-8-16-15(17(22)9-13)10-19-18-7-12(2)20-21(16)18/h3-7,10,13H,8-9H2,1-2H3.
What are the key properties of 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 291.35 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(2-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66506038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).