2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C25H23N3O4 — CID 22429464

IUPAC2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C25H23N3O4/c1-17-7-9-18(10-8-17)15-26-23(29)16-27-22-6-4-3-5-21(22)24(30)28(25(27)31)19-11-13-20(32-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyHQGBWTJRUYIIGF-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.79
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 22429464) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID22429464
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C25H23N3O4/c1-17-7-9-18(10-8-17)15-26-23(29)16-27-22-6-4-3-5-21(22)24(30)28(25(27)31)19-11-13-20(32-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyHQGBWTJRUYIIGF-UHFFFAOYSA-N
XLogP2.79
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-methoxyphenyl)-2-oxopropyl]-3-(4-methylphenyl)quinazoline-2,4-dione
CID 165075305
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-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
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-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841414
2-[[4-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 71905303
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95917137
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 22429464) is 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NCc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is HQGBWTJRUYIIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-7-9-18(10-8-17)15-26-23(29)16-27-22-6-4-3-5-21(22)24(30)28(25(27)31)19-11-13-20(32-2)14-12-19/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 22429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).