2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C17H17N3O — CID 666416

IUPAC2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3
InChIInChI=1S/C17H17N3O/c1-11-15(12-7-3-2-4-8-12)16-18-14-10-6-5-9-13(14)17(21)20(16)19-11/h2-4,7-8,19H,5-6,9-10H2,1H3
InChIKeyHDCDWWRANUMHSK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.88
Rot. Bonds1

About 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 666416) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID666416
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3
InChIInChI=1S/C17H17N3O/c1-11-15(12-7-3-2-4-8-12)16-18-14-10-6-5-9-13(14)17(21)20(16)19-11/h2-4,7-8,19H,5-6,9-10H2,1H3
InChIKeyHDCDWWRANUMHSK-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 666416) is 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3.
What is the InChIKey of 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is HDCDWWRANUMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-15(12-7-3-2-4-8-12)16-18-14-10-6-5-9-13(14)17(21)20(16)19-11/h2-4,7-8,19H,5-6,9-10H2,1H3.
What are the key properties of 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 279.34 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 666416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).