3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

C24H24N2O — CID 632058

IUPAC3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCn1c(-c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O/c1-26-22(17-10-4-2-5-11-17)25-21-19-13-7-6-12-18(19)16-24(20(21)23(26)27)14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyCBDAHOSJHINJEF-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.87
Rot. Bonds1

About 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (PubChem CID 632058) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
PubChem CID632058
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
SMILESCn1c(-c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
InChIInChI=1S/C24H24N2O/c1-26-22(17-10-4-2-5-11-17)25-21-19-13-7-6-12-18(19)16-24(20(21)23(26)27)14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-16H2,1H3
InChIKeyCBDAHOSJHINJEF-UHFFFAOYSA-N
XLogP4.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The IUPAC name of 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one (CID 632058) is 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
What is the SMILES notation for 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The canonical SMILES for 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is Cn1c(-c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2.
What is the InChIKey of 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
The InChIKey is CBDAHOSJHINJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-26-22(17-10-4-2-5-11-17)25-21-19-13-7-6-12-18(19)16-24(20(21)23(26)27)14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-16H2,1H3.
What are the key properties of 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one?
3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one has a molecular weight of 356.47 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one is sourced from PubChem (CID 632058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).