N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

C32H37N3O5 — CID 50793382

IUPACN-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C32H37N3O5/c1-7-8-15-33(4)30(36)24-13-11-23(12-14-24)19-35-31(37)26-17-28(39-5)29(40-6)18-27(26)34(32(35)38)20-25-16-21(2)9-10-22(25)3/h9-14,16-18H,7-8,15,19-20H2,1-6H3
InChIKeyJEKSEIVWRMEPGN-UHFFFAOYSA-N
MW543.66 g/mol
LogP4.77
Rot. Bonds10

About N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (PubChem CID 50793382) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
PubChem CID50793382
Molecular FormulaC32H37N3O5
Molecular Weight543.66 g/mol
Exact Mass543.27
IUPAC NameN-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C32H37N3O5/c1-7-8-15-33(4)30(36)24-13-11-23(12-14-24)19-35-31(37)26-17-28(39-5)29(40-6)18-27(26)34(32(35)38)20-25-16-21(2)9-10-22(25)3/h9-14,16-18H,7-8,15,19-20H2,1-6H3
InChIKeyJEKSEIVWRMEPGN-UHFFFAOYSA-N
XLogP4.77
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.66
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide (CID 50793382) is N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(Cn2c(=O)c3cc(OC)c(OC)cc3n(Cc3cc(C)ccc3C)c2=O)cc1.
What is the InChIKey of N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is JEKSEIVWRMEPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5/c1-7-8-15-33(4)30(36)24-13-11-23(12-14-24)19-35-31(37)26-17-28(39-5)29(40-6)18-27(26)34(32(35)38)20-25-16-21(2)9-10-22(25)3/h9-14,16-18H,7-8,15,19-20H2,1-6H3.
What are the key properties of N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide?
N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 543.66 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[1-[(2,5-dimethylphenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 50793382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).