8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one

C18H19N3O — CID 137234334

IUPAC8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)n1ncc(-c3ccccc3)c1NC2
InChIInChI=1S/C18H19N3O/c1-18(2)8-15-14(16(22)9-18)10-19-17-13(11-20-21(15)17)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyIQSZNSUKKFWIFL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.58
Rot. Bonds1

About 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one

8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one (PubChem CID 137234334) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
PubChem CID137234334
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)C2=C(C1)n1ncc(-c3ccccc3)c1NC2
InChIInChI=1S/C18H19N3O/c1-18(2)8-15-14(16(22)9-18)10-19-17-13(11-20-21(15)17)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3
InChIKeyIQSZNSUKKFWIFL-UHFFFAOYSA-N
XLogP3.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one with MolForge

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Related Compounds

5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
6,6-dimethyl-1-pyridazin-3-yl-5,7-dihydroindazol-4-one
CID 103294189
4,4,5,5-tetramethyl-3-(4-phenylphenyl)pyrazolo[1,5-a]quinoline
CID 170539418
6,6-dimethyl-3-phenyl-5,7-dihydro-1H-indazol-4-one
CID 3466503
8,8-dimethyl-3,5-diphenyl-2,5,7,9-tetrahydro-1H-1,2-benzodiazepin-6-one
CID 3353892
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
9-(4-chloro-3-phenylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117821
6,6-dimethyl-3-phenyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindazol-4-one
CID 70121924
4-(2-chlorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
CID 4017936
4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 65356247
2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 118731796
6,6-dimethyl-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydroindol-4-one
CID 50741940

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one (CID 137234334) is 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one is CC1(C)CC(=O)C2=C(C1)n1ncc(-c3ccccc3)c1NC2.
What is the InChIKey of 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is IQSZNSUKKFWIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2)8-15-14(16(22)9-18)10-19-17-13(11-20-21(15)17)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3.
What are the key properties of 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one?
8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 293.37 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-phenyl-4,5,7,9-tetrahydropyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 137234334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).