2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide

C20H20N4O3 — CID 42119047

IUPAC2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-13(2)19(26)23-15-9-7-14(8-10-15)22-18(25)11-24-12-21-17-6-4-3-5-16(17)20(24)27/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKJEUJTFKLILDOC-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.63
Rot. Bonds5

About 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide (PubChem CID 42119047) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
PubChem CID42119047
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Name2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H20N4O3/c1-13(2)19(26)23-15-9-7-14(8-10-15)22-18(25)11-24-12-21-17-6-4-3-5-16(17)20(24)27/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyKJEUJTFKLILDOC-UHFFFAOYSA-N
XLogP2.63
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide (CID 42119047) is 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
The InChIKey is KJEUJTFKLILDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13(2)19(26)23-15-9-7-14(8-10-15)22-18(25)11-24-12-21-17-6-4-3-5-16(17)20(24)27/h3-10,12-13H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide has a molecular weight of 364.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 42119047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).