3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide

C27H27N3O5S — CID 127032464

IUPAC3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5S/c1-17-10-11-21-20(14-17)26(32)30(19-8-6-5-7-9-19)27(29-21)36-13-12-24(31)28-18-15-22(33-2)25(35-4)23(16-18)34-3/h5-11,14-16H,12-13H2,1-4H3,(H,28,31)
InChIKeyUMZUSPJHUKRXMZ-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.84
Rot. Bonds9

About 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide

3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 127032464) has the molecular formula C27H27N3O5S and a molecular weight of 505.60 g/mol. Its IUPAC name is 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID127032464
Molecular FormulaC27H27N3O5S
Molecular Weight505.60 g/mol
Exact Mass505.17
IUPAC Name3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5S/c1-17-10-11-21-20(14-17)26(32)30(19-8-6-5-7-9-19)27(29-21)36-13-12-24(31)28-18-15-22(33-2)25(35-4)23(16-18)34-3/h5-11,14-16H,12-13H2,1-4H3,(H,28,31)
InChIKeyUMZUSPJHUKRXMZ-UHFFFAOYSA-N
XLogP4.84
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23861407
N-(3,4-dimethoxyphenyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16532871
3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
CID 23973161
4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide
CID 42739980
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 171716212
3-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589752
N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533099
2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1383033
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1273453
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(4-chlorophenyl)-2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16538626
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2468053

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide (CID 127032464) is 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UMZUSPJHUKRXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5S/c1-17-10-11-21-20(14-17)26(32)30(19-8-6-5-7-9-19)27(29-21)36-13-12-24(31)28-18-15-22(33-2)25(35-4)23(16-18)34-3/h5-11,14-16H,12-13H2,1-4H3,(H,28,31).
What are the key properties of 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 505.60 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 127032464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).