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

C19H19N3O2 — CID 7294903

IUPAC2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)18(23)21-14-8-10-15(11-9-14)22-13(3)20-17-7-5-4-6-16(17)19(22)24/h4-12H,1-3H3,(H,21,23)
InChIKeyDBHIIPSVLSMRIB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds3

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

2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (PubChem CID 7294903) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
PubChem CID7294903
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C19H19N3O2/c1-12(2)18(23)21-14-8-10-15(11-9-14)22-13(3)20-17-7-5-4-6-16(17)19(22)24/h4-12H,1-3H3,(H,21,23)
InChIKeyDBHIIPSVLSMRIB-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 39777242
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 16532216
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
(2R)-N-(4-acetamidophenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41498459
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7577823
N-(3-iodo-4-methylphenyl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 46809727
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-nitrobenzamide
CID 7294909
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 46392050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (CID 7294903) is 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The InChIKey is DBHIIPSVLSMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)18(23)21-14-8-10-15(11-9-14)22-13(3)20-17-7-5-4-6-16(17)19(22)24/h4-12H,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide has a molecular weight of 321.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is sourced from PubChem (CID 7294903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).