3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione

C17H16N2O3 — CID 91254141

IUPAC3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
SMILESCOc1cccc(Cn2c(=O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C17H16N2O3/c1-18-15-9-4-3-8-14(15)16(20)19(17(18)21)11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3
InChIKeySDYFQVYOKNWLLE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.76
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione

3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione (PubChem CID 91254141) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
PubChem CID91254141
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
SMILESCOc1cccc(Cn2c(=O)c3ccccc3n(C)c2=O)c1
InChIInChI=1S/C17H16N2O3/c1-18-15-9-4-3-8-14(15)16(20)19(17(18)21)11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3
InChIKeySDYFQVYOKNWLLE-UHFFFAOYSA-N
XLogP1.76
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(3-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-propylpentanamide
CID 50762956
6-[(3-methoxyphenyl)methyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 2826365
5-benzyl-3-[(3-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026427
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
3-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879741
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
3-bromo-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 22310832
8-(benzylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 4034820
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026420
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
3-(2,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]quinazoline-2,4-dione
CID 22423456

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione (CID 91254141) is 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione is COc1cccc(Cn2c(=O)c3ccccc3n(C)c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione?
The InChIKey is SDYFQVYOKNWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-18-15-9-4-3-8-14(15)16(20)19(17(18)21)11-12-6-5-7-13(10-12)22-2/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione?
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 91254141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).