4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide

C25H23N3O5 — CID 50793239

IUPAC4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(C)cc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C25H23N3O5/c1-15-4-10-18(11-5-15)26-23(29)17-8-6-16(7-9-17)14-28-24(30)19-12-21(32-2)22(33-3)13-20(19)27-25(28)31/h4-13H,14H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyFQBLXKPMJCLMNS-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.32
Rot. Bonds6

About 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide (PubChem CID 50793239) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
PubChem CID50793239
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(C)cc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C25H23N3O5/c1-15-4-10-18(11-5-15)26-23(29)17-8-6-16(7-9-17)14-28-24(30)19-12-21(32-2)22(33-3)13-20(19)27-25(28)31/h4-13H,14H2,1-3H3,(H,26,29)(H,27,31)
InChIKeyFQBLXKPMJCLMNS-UHFFFAOYSA-N
XLogP3.32
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 22423329
N-[1-(1-adamantyl)ethyl]-4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 50793260
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 46506321
N-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4215319
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
N-(3,5-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4215323
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide (CID 50793239) is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide is COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(C)cc4)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?
The InChIKey is FQBLXKPMJCLMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15-4-10-18(11-5-15)26-23(29)17-8-6-16(7-9-17)14-28-24(30)19-12-21(32-2)22(33-3)13-20(19)27-25(28)31/h4-13H,14H2,1-3H3,(H,26,29)(H,27,31).
What are the key properties of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide?
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 50793239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).