3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C17H20N4O — CID 132917833

IUPAC3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCc1cc(N2C(=O)c3ccccc3NC23CCCCC3)n[nH]1
InChIInChI=1S/C17H20N4O/c1-12-11-15(20-19-12)21-16(22)13-7-3-4-8-14(13)18-17(21)9-5-2-6-10-17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyJSCFXJDAZYAMIZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds1

About 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one

3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 132917833) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID132917833
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCc1cc(N2C(=O)c3ccccc3NC23CCCCC3)n[nH]1
InChIInChI=1S/C17H20N4O/c1-12-11-15(20-19-12)21-16(22)13-7-3-4-8-14(13)18-17(21)9-5-2-6-10-17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3,(H,19,20)
InChIKeyJSCFXJDAZYAMIZ-UHFFFAOYSA-N
XLogP3.45
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 132917833) is 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is Cc1cc(N2C(=O)c3ccccc3NC23CCCCC3)n[nH]1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is JSCFXJDAZYAMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-11-15(20-19-12)21-16(22)13-7-3-4-8-14(13)18-17(21)9-5-2-6-10-17/h3-4,7-8,11,18H,2,5-6,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 296.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-3-yl)spiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 132917833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).