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

C20H20N4O3 — CID 131906477

IUPACN-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3/c1-13-7-8-17(22-14(2)25)18(11-13)23-19(26)9-10-24-12-21-16-6-4-3-5-15(16)20(24)27/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLDMLAECGLQASSB-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.69
Rot. Bonds5

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

N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 131906477) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID131906477
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1NC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C20H20N4O3/c1-13-7-8-17(22-14(2)25)18(11-13)23-19(26)9-10-24-12-21-16-6-4-3-5-15(16)20(24)27/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyLDMLAECGLQASSB-UHFFFAOYSA-N
XLogP2.69
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147986
tert-butyl N-[2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4-(trifluoromethyl)phenyl]carbamate
CID 55969603
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(4-oxoquinazolin-3-yl)-N-(1H-pyrazol-5-yl)propanamide
CID 47083211
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide (CID 131906477) is N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is CC(=O)Nc1ccc(C)cc1NC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is LDMLAECGLQASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-7-8-17(22-14(2)25)18(11-13)23-19(26)9-10-24-12-21-16-6-4-3-5-15(16)20(24)27/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide?
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 364.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 131906477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).