1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione

C25H22N2O4 — CID 165075305

IUPAC1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
SMILESCOc1ccc(CC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O4/c1-17-7-11-19(12-8-17)27-24(29)22-5-3-4-6-23(22)26(25(27)30)16-20(28)15-18-9-13-21(31-2)14-10-18/h3-14H,15-16H2,1-2H3
InChIKeyUFCNLWDQDBBZCC-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.28
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione

1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione (PubChem CID 165075305) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
PubChem CID165075305
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
SMILESCOc1ccc(CC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C25H22N2O4/c1-17-7-11-19(12-8-17)27-24(29)22-5-3-4-6-23(22)26(25(27)30)16-20(28)15-18-9-13-21(31-2)14-10-18/h3-14H,15-16H2,1-2H3
InChIKeyUFCNLWDQDBBZCC-UHFFFAOYSA-N
XLogP3.28
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22429464
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
3-(3,5-dimethylphenyl)-1-[2-oxo-3-(2,4,6-trimethylphenyl)propyl]quinazoline-2,4-dione
CID 164962152
2-[4-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762570
2-[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)quinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 6621475
2-[3-(4-methoxyphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 71841399
N-hydroxy-3-[4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]phenyl]prop-2-enamide
CID 175872723
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
3-[4-[2-(azepan-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 50762535

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione (CID 165075305) is 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione is COc1ccc(CC(=O)Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione?
The InChIKey is UFCNLWDQDBBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-17-7-11-19(12-8-17)27-24(29)22-5-3-4-6-23(22)26(25(27)30)16-20(28)15-18-9-13-21(31-2)14-10-18/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione?
1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione has a molecular weight of 414.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 165075305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).