6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one

C18H16N2O2 — CID 162388491

IUPAC6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one
SMILESCOc1cc(C2CC2)cc2c(-c3ccccc3)nc(=O)[nH]c12
InChIInChI=1S/C18H16N2O2/c1-22-15-10-13(11-7-8-11)9-14-16(12-5-3-2-4-6-12)19-18(21)20-17(14)15/h2-6,9-11H,7-8H2,1H3,(H,19,20,21)
InChIKeyMKABYMHEGNAGDE-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.48
Rot. Bonds3

About 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one

6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one (PubChem CID 162388491) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one
PubChem CID162388491
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one
SMILESCOc1cc(C2CC2)cc2c(-c3ccccc3)nc(=O)[nH]c12
InChIInChI=1S/C18H16N2O2/c1-22-15-10-13(11-7-8-11)9-14-16(12-5-3-2-4-6-12)19-18(21)20-17(14)15/h2-6,9-11H,7-8H2,1H3,(H,19,20,21)
InChIKeyMKABYMHEGNAGDE-UHFFFAOYSA-N
XLogP3.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diisopropylphenyl)-N'-(2-methoxyphenyl)urea
CID 4216212
1-(2-Methoxy-4-methylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 177642029
1-[2,6-Di(propan-2-yl)phenyl]-3-(4-fluoro-2-methoxyphenyl)urea
CID 177654425
1-[2,6-Di(propan-2-yl)phenyl]-3-(2-methoxy-4-methylphenyl)urea
CID 177657756
1-(2-Methoxyphenyl)-3-[4-(propan-2-yl)phenyl]urea
CID 292809
8-Methoxyquinazolin-2(1H)-one
CID 53438636
3-Amino-5-[3-(fluoromethyl)phenyl]-9-methoxy-1,3-dihydro-1,4-benzodiazepin-2-one
CID 118328374
N-(1-cyclohexa-2,4-dien-1-ylethyl)-2-(N-cyclohexyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxyaniline
CID 123206399
6-(4-fluorophenyl)-8-methoxy-4-[[(Z)-2-[[(E)-1,1,1-trifluorohex-2-en-2-yl]iminomethyl]but-2-enyl]amino]-1H-quinazolin-2-one
CID 155728601
6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline
CID 175868216
3,3'-Dimethoxy-4,4'-bis[(2-toluidinocarbonyl)amino]-1,1'-biphenyl
CID 1039714
1,3-Bis(2-methoxy-6-methylphenyl)urea
CID 292939

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one?
The IUPAC name of 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one (CID 162388491) is 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one.
What is the SMILES notation for 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one?
The canonical SMILES for 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one is COc1cc(C2CC2)cc2c(-c3ccccc3)nc(=O)[nH]c12.
What is the InChIKey of 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one?
The InChIKey is MKABYMHEGNAGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-15-10-13(11-7-8-11)9-14-16(12-5-3-2-4-6-12)19-18(21)20-17(14)15/h2-6,9-11H,7-8H2,1H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one?
6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-methoxy-4-phenyl-1H-quinazolin-2-one is sourced from PubChem (CID 162388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).