N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

C31H33N3O5 — CID 50793472

IUPACN-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCOc1cc2c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C31H33N3O5/c1-20-8-10-21(11-9-20)18-33-26-17-28(39-3)27(38-2)16-25(26)30(36)34(31(33)37)19-22-12-14-23(15-13-22)29(35)32-24-6-4-5-7-24/h8-17,24H,4-7,18-19H2,1-3H3,(H,32,35)
InChIKeyCVJCCFZNICPKRE-UHFFFAOYSA-N
MW527.62 g/mol
LogP4.26
Rot. Bonds8

About N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (PubChem CID 50793472) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
PubChem CID50793472
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC NameN-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCOc1cc2c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C31H33N3O5/c1-20-8-10-21(11-9-20)18-33-26-17-28(39-3)27(38-2)16-25(26)30(36)34(31(33)37)19-22-12-14-23(15-13-22)29(35)32-24-6-4-5-7-24/h8-17,24H,4-7,18-19H2,1-3H3,(H,32,35)
InChIKeyCVJCCFZNICPKRE-UHFFFAOYSA-N
XLogP4.26
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide with MolForge

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Related Compounds

4-[[1-[2-(cyclohexylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793258
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
4-[[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793423
4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 50793489
4-[[6,7-dimethoxy-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propylbenzamide
CID 98321214
N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 22425034
2-(cyanomethyl)-N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
CID 50775156
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
N-butyl-4-[[1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793305
4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793227
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (CID 50793472) is N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is COc1cc2c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is CVJCCFZNICPKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-20-8-10-21(11-9-20)18-33-26-17-28(39-3)27(38-2)16-25(26)30(36)34(31(33)37)19-22-12-14-23(15-13-22)29(35)32-24-6-4-5-7-24/h8-17,24H,4-7,18-19H2,1-3H3,(H,32,35).
What are the key properties of N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 527.62 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 50793472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).