N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C21H22N4O3 — CID 46463322

IUPACN-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-13-7-8-16(23-15(3)26)11-18(13)24-19(27)9-10-25-12-22-20-14(2)5-4-6-17(20)21(25)28/h4-8,11-12H,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQRMSOWLYKYUSGN-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.00
Rot. Bonds5

About N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 46463322) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID46463322
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-13-7-8-16(23-15(3)26)11-18(13)24-19(27)9-10-25-12-22-20-14(2)5-4-6-17(20)21(25)28/h4-8,11-12H,9-10H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyQRMSOWLYKYUSGN-UHFFFAOYSA-N
XLogP3.00
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34717885
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43066804
3-fluoro-N-[2-methoxy-5-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]benzamide
CID 55725734
N-(2-fluoro-5-nitrophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55462318
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 32576569

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 46463322) is N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is CC(=O)Nc1ccc(C)c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QRMSOWLYKYUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-7-8-16(23-15(3)26)11-18(13)24-19(27)9-10-25-12-22-20-14(2)5-4-6-17(20)21(25)28/h4-8,11-12H,9-10H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 46463322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).