6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one

C17H18N2O3 — CID 102384479

IUPAC6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)C(C)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O3/c1-11-13-9-15(21-2)16(22-3)10-14(13)18-17(20)19(11)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,20)
InChIKeyUOXIZNMNBDOYRH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.82
Rot. Bonds3

About 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one

6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one (PubChem CID 102384479) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
PubChem CID102384479
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)C(C)N(c1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O3/c1-11-13-9-15(21-2)16(22-3)10-14(13)18-17(20)19(11)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,20)
InChIKeyUOXIZNMNBDOYRH-UHFFFAOYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
CID 102384481
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384485
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
2,3,9,10-tetramethoxy-7,11b,12,13-tetrahydroquinolino[1,2-c]quinazolin-6-one
CID 12693390
(9R)-6,7-dimethoxy-9-phenyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 102133784
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
(7R,7aS)-1-phenyl-7-(3,4,5-trimethoxyphenyl)-4,6,7,7a-tetrahydroimidazo[4,5-b]pyridine-2,5-dione
CID 98084751
(4R)-6,7-dimethoxy-2-oxo-N-[(1S)-1-phenylethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 7269167
(5S)-3-[2-(2-methoxyphenyl)-2-oxoethyl]-5-methyl-1-phenylimidazolidine-2,4-dione
CID 39026900
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one (CID 102384479) is 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one is COc1cc2c(cc1OC)C(C)N(c1ccccc1)C(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one?
The InChIKey is UOXIZNMNBDOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-13-9-15(21-2)16(22-3)10-14(13)18-17(20)19(11)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,18,20).
What are the key properties of 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one?
6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 102384479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).