2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one

C21H22N2O2 — CID 58828606

IUPAC2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one
SMILESCOc1ccc2c(=O)nc(C3CCCCC3)n(-c3ccccc3)c2c1
InChIInChI=1S/C21H22N2O2/c1-25-17-12-13-18-19(14-17)23(16-10-6-3-7-11-16)20(22-21(18)24)15-8-4-2-5-9-15/h3,6-7,10-15H,2,4-5,8-9H2,1H3
InChIKeyVUQGOBXULWLFKW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.44
Rot. Bonds3

About 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one

2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one (PubChem CID 58828606) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one
PubChem CID58828606
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one
SMILESCOc1ccc2c(=O)nc(C3CCCCC3)n(-c3ccccc3)c2c1
InChIInChI=1S/C21H22N2O2/c1-25-17-12-13-18-19(14-17)23(16-10-6-3-7-11-16)20(22-21(18)24)15-8-4-2-5-9-15/h3,6-7,10-15H,2,4-5,8-9H2,1H3
InChIKeyVUQGOBXULWLFKW-UHFFFAOYSA-N
XLogP4.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-7-methoxy-1,3-benzoxazin-4-one
CID 17390923
2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551504
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
CID 22484801
4-cyclohexyl-6-methoxy-2-phenylquinazoline
CID 23640939
3-cyclohexyl-4,5-diphenyl-1,2,4-triazole
CID 58240241
5-[1-(2,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 121117373
2-(5-cyclohexyltetrazol-1-yl)-5-methoxyaniline
CID 62075867
2-cyclohexyl-1-phenylquinolin-4-one
CID 59052660
methyl 3-[(chloroamino)methyl]-7-methoxy-4-oxo-1-phenylquinoline-2-carboxylate
CID 89391689
2-cyclohexyl-3-(4-iodophenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
CID 139480524
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
N-benzyl-2-[[5-cyclohexyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide
CID 1445645

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one?
The IUPAC name of 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one (CID 58828606) is 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one is COc1ccc2c(=O)nc(C3CCCCC3)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one?
The InChIKey is VUQGOBXULWLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-17-12-13-18-19(14-17)23(16-10-6-3-7-11-16)20(22-21(18)24)15-8-4-2-5-9-15/h3,6-7,10-15H,2,4-5,8-9H2,1H3.
What are the key properties of 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one?
2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-methoxy-1-phenylquinazolin-4-one is sourced from PubChem (CID 58828606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).