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

C27H27N3O3 — CID 15992650

IUPACN-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)c1
InChIInChI=1S/C27H27N3O3/c1-3-20-9-7-11-22(17-20)28-25(31)18-30-24-13-5-4-12-23(24)26(32)29(27(30)33)15-14-21-10-6-8-19(2)16-21/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,28,31)
InChIKeyQZWGXHIPPNTJHA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.92
Rot. Bonds7

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

N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 15992650) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID15992650
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)c1
InChIInChI=1S/C27H27N3O3/c1-3-20-9-7-11-22(17-20)28-25(31)18-30-24-13-5-4-12-23(24)26(32)29(27(30)33)15-14-21-10-6-8-19(2)16-21/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,28,31)
InChIKeyQZWGXHIPPNTJHA-UHFFFAOYSA-N
XLogP3.92
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502365
N-cyclohexyl-5-[1-[2-(3-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50762987
N-[3-[[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]methyl]phenyl]butanamide
CID 55782744
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 38842169
N-[(2-chlorophenyl)methyl]-5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429770
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
N-(3,5-dichlorophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465857

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide (CID 15992650) is N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is CCc1cccc(NC(=O)Cn2c(=O)n(CCc3cccc(C)c3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is QZWGXHIPPNTJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-3-20-9-7-11-22(17-20)28-25(31)18-30-24-13-5-4-12-23(24)26(32)29(27(30)33)15-14-21-10-6-8-19(2)16-21/h4-13,16-17H,3,14-15,18H2,1-2H3,(H,28,31).
What are the key properties of N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 441.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 15992650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).