N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C21H22N4O4 — CID 2449887

IUPACN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-3-24(12-19(26)23-17-10-6-7-11-18(17)29-2)20(27)13-25-14-22-16-9-5-4-8-15(16)21(25)28/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyVFKFFLCHJNATSF-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.89
Rot. Bonds7

About N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2449887) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2449887
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-3-24(12-19(26)23-17-10-6-7-11-18(17)29-2)20(27)13-25-14-22-16-9-5-4-8-15(16)21(25)28/h4-11,14H,3,12-13H2,1-2H3,(H,23,26)
InChIKeyVFKFFLCHJNATSF-UHFFFAOYSA-N
XLogP1.89
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
12h-Benzoxazolo[2,3-b]quinazolin-12-one
CID 230298
N-(3-Methoxybenzyl)-4-Oxo-3,4-Dihydroquinazoline-2-Carboxamide
CID 135566625
N-(2-Methoxyphenyl)-4-{[3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)propanoyl]amino}benzamide
CID 135566794
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
4'-Methoxycyclopeptin
CID 102515481
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-3H-quinazolin-4-one
CID 10717287
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42723446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 2449887) is N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide is CCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is VFKFFLCHJNATSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-3-24(12-19(26)23-17-10-6-7-11-18(17)29-2)20(27)13-25-14-22-16-9-5-4-8-15(16)21(25)28/h4-11,14H,3,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2449887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).