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

C19H22N2O3 — CID 102384481

IUPAC6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
SMILESCCCC1c2cc(OC)c(OC)cc2NC(=O)N1c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-8-16-14-11-17(23-2)18(24-3)12-15(14)20-19(22)21(16)13-9-6-5-7-10-13/h5-7,9-12,16H,4,8H2,1-3H3,(H,20,22)
InChIKeyVLLNFQXSUWLRLY-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.60
Rot. Bonds5

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

6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one (PubChem CID 102384481) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
PubChem CID102384481
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one
SMILESCCCC1c2cc(OC)c(OC)cc2NC(=O)N1c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-4-8-16-14-11-17(23-2)18(24-3)12-15(14)20-19(22)21(16)13-9-6-5-7-10-13/h5-7,9-12,16H,4,8H2,1-3H3,(H,20,22)
InChIKeyVLLNFQXSUWLRLY-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-4-methyl-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384479
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384485
12-phenyl-13-propyl-5,13-dihydronaphtho[2,3-b][1,4]benzodiazepine-6,11-dione
CID 102403375
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
(1S)-6,7-dimethoxy-1-[(2R)-2-methylbut-3-enyl]-2-phenyl-1,4-dihydroisoquinolin-3-one
CID 122385739
ethyl 2-(2,5-dioxo-3-phenylimidazolidin-4-yl)acetate
CID 44614200
(9R)-6,7-dimethoxy-9-phenyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 102133784
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-ethylphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108649187
2-(5-bromo-2,4-dimethoxyphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 3159958

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one (CID 102384481) is 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one is CCCC1c2cc(OC)c(OC)cc2NC(=O)N1c1ccccc1.
What is the InChIKey of 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one?
The InChIKey is VLLNFQXSUWLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-8-16-14-11-17(23-2)18(24-3)12-15(14)20-19(22)21(16)13-9-6-5-7-10-13/h5-7,9-12,16H,4,8H2,1-3H3,(H,20,22).
What are the key properties of 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one?
6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one has a molecular weight of 326.40 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenyl-4-propyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 102384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).