4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one

C20H22N2O — CID 702290

IUPAC4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15-11-13-20(14-12-15)21-18-10-6-5-9-17(18)19(23)22(20)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
InChIKeySLORYUOBEXZZJA-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.67
Rot. Bonds1

About 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one

4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one (PubChem CID 702290) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
PubChem CID702290
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one
SMILESCC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1
InChIInChI=1S/C20H22N2O/c1-15-11-13-20(14-12-15)21-18-10-6-5-9-17(18)19(23)22(20)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
InChIKeySLORYUOBEXZZJA-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-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 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The IUPAC name of 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one (CID 702290) is 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one.
What is the SMILES notation for 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The canonical SMILES for 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one is CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1.
What is the InChIKey of 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
The InChIKey is SLORYUOBEXZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-11-13-20(14-12-15)21-18-10-6-5-9-17(18)19(23)22(20)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3.
What are the key properties of 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one?
4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one has a molecular weight of 306.41 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methyl-3-phenylspiro[1H-quinazoline-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 702290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).