9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

C17H17N3O — CID 135433454

IUPAC9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCc1cccc(C2C3=C(CCCC3=O)Nc3ccnn32)c1
InChIInChI=1S/C17H17N3O/c1-11-4-2-5-12(10-11)17-16-13(6-3-7-14(16)21)19-15-8-9-18-20(15)17/h2,4-5,8-10,17,19H,3,6-7H2,1H3
InChIKeyQMZQYJZGEXTCFE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.21
Rot. Bonds1

About 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one

9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 135433454) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID135433454
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCc1cccc(C2C3=C(CCCC3=O)Nc3ccnn32)c1
InChIInChI=1S/C17H17N3O/c1-11-4-2-5-12(10-11)17-16-13(6-3-7-14(16)21)19-15-8-9-18-20(15)17/h2,4-5,8-10,17,19H,3,6-7H2,1H3
InChIKeyQMZQYJZGEXTCFE-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one (CID 135433454) is 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is Cc1cccc(C2C3=C(CCCC3=O)Nc3ccnn32)c1.
What is the InChIKey of 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is QMZQYJZGEXTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-4-2-5-12(10-11)17-16-13(6-3-7-14(16)21)19-15-8-9-18-20(15)17/h2,4-5,8-10,17,19H,3,6-7H2,1H3.
What are the key properties of 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one?
9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 279.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylphenyl)-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135433454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).