N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide

C29H27N5O6 — CID 20918619

IUPACN-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCc3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc32)c1
InChIInChI=1S/C29H27N5O6/c1-18-8-10-19(11-9-18)27-31-26(40-32-27)14-15-33-28(36)21-6-4-5-7-23(21)34(29(33)37)17-25(35)30-22-16-20(38-2)12-13-24(22)39-3/h4-13,16H,14-15,17H2,1-3H3,(H,30,35)
InChIKeyZQTUWJFQXARRAZ-UHFFFAOYSA-N
MW541.56 g/mol
LogP3.42
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 20918619) has the molecular formula C29H27N5O6 and a molecular weight of 541.56 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID20918619
Molecular FormulaC29H27N5O6
Molecular Weight541.56 g/mol
Exact Mass541.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCc3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc32)c1
InChIInChI=1S/C29H27N5O6/c1-18-8-10-19(11-9-18)27-31-26(40-32-27)14-15-33-28(36)21-6-4-5-7-23(21)34(29(33)37)17-25(35)30-22-16-20(38-2)12-13-24(22)39-3/h4-13,16H,14-15,17H2,1-3H3,(H,30,35)
InChIKeyZQTUWJFQXARRAZ-UHFFFAOYSA-N
XLogP3.42
TPSA130.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.56
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46278499
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20918614
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278498
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
CID 45106636
N-(2,5-dimethoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758426
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 20918619) is N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2c(=O)n(CCc3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is ZQTUWJFQXARRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O6/c1-18-8-10-19(11-9-18)27-31-26(40-32-27)14-15-33-28(36)21-6-4-5-7-23(21)34(29(33)37)17-25(35)30-22-16-20(38-2)12-13-24(22)39-3/h4-13,16H,14-15,17H2,1-3H3,(H,30,35).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 541.56 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 20918619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).