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

C26H25N3O4 — CID 15995768

IUPACN-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O4/c1-18-6-5-7-19(16-18)14-15-28-25(31)22-8-3-4-9-23(22)29(26(28)32)17-24(30)27-20-10-12-21(33-2)13-11-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyHGWBXLRDEOGUOM-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.36
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 15995768) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID15995768
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O4/c1-18-6-5-7-19(16-18)14-15-28-25(31)22-8-3-4-9-23(22)29(26(28)32)17-24(30)27-20-10-12-21(33-2)13-11-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyHGWBXLRDEOGUOM-UHFFFAOYSA-N
XLogP3.36
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 27443487
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53062936
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 15995768) is N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is HGWBXLRDEOGUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18-6-5-7-19(16-18)14-15-28-25(31)22-8-3-4-9-23(22)29(26(28)32)17-24(30)27-20-10-12-21(33-2)13-11-20/h3-13,16H,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 15995768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).