2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

C27H26N4O4 — CID 30844892

IUPAC2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C27H26N4O4/c1-3-19-8-4-6-10-22(19)29-25(33)17-30-23-11-7-5-9-21(23)26(34)31(27(30)35)20-14-12-18(13-15-20)16-24(32)28-2/h4-15H,3,16-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyJWBRFWRBHREDHM-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide

2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (PubChem CID 30844892) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
PubChem CID30844892
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC)cc2)c(=O)c2ccccc21
InChIInChI=1S/C27H26N4O4/c1-3-19-8-4-6-10-22(19)29-25(33)17-30-23-11-7-5-9-21(23)26(34)31(27(30)35)20-14-12-18(13-15-20)16-24(32)28-2/h4-15H,3,16-17H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyJWBRFWRBHREDHM-UHFFFAOYSA-N
XLogP2.64
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762582
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
methyl 4-[[2-[3-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2,4-dioxoquinazolin-1-yl]acetyl]amino]benzoate
CID 50763335
2-(2,4-dioxo-3-phenylquinazolin-1-yl)-N-(2-methylphenyl)acetamide
CID 17147914
2-[4-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763301
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
2-[4-[1-[2-(2,5-difluoroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-propylacetamide
CID 50763323
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429419
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide (CID 30844892) is 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is CCc1ccccc1NC(=O)Cn1c(=O)n(-c2ccc(CC(=O)NC)cc2)c(=O)c2ccccc21.
What is the InChIKey of 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
The InChIKey is JWBRFWRBHREDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-3-19-8-4-6-10-22(19)29-25(33)17-30-23-11-7-5-9-21(23)26(34)31(27(30)35)20-14-12-18(13-15-20)16-24(32)28-2/h4-15H,3,16-17H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide?
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide has a molecular weight of 470.53 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 30844892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).