N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide

C25H24N4O2S — CID 87018774

IUPACN-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccccc1CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C25H24N4O2S/c1-17-8-3-4-9-19(17)14-18(2)27-23(30)16-32-25-28-22-12-6-5-11-21(22)24(31)29(25)20-10-7-13-26-15-20/h3-13,15,18H,14,16H2,1-2H3,(H,27,30)
InChIKeyFQIYWRJNFNTNDZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.93
Rot. Bonds7

About N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide

N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide (PubChem CID 87018774) has the molecular formula C25H24N4O2S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
PubChem CID87018774
Molecular FormulaC25H24N4O2S
Molecular Weight444.56 g/mol
Exact Mass444.16
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
SMILESCc1ccccc1CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C25H24N4O2S/c1-17-8-3-4-9-19(17)14-18(2)27-23(30)16-32-25-28-22-12-6-5-11-21(22)24(31)29(25)20-10-7-13-26-15-20/h3-13,15,18H,14,16H2,1-2H3,(H,27,30)
InChIKeyFQIYWRJNFNTNDZ-UHFFFAOYSA-N
XLogP3.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 41038076
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17401059
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 2693503
N-[(2S)-butan-2-yl]-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2693456
2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide
CID 42736247
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42971013
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 5009022
2-(4-oxo-3-phenylpyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 42892624

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide (CID 87018774) is N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide is Cc1ccccc1CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is FQIYWRJNFNTNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2S/c1-17-8-3-4-9-19(17)14-18(2)27-23(30)16-32-25-28-22-12-6-5-11-21(22)24(31)29(25)20-10-7-13-26-15-20/h3-13,15,18H,14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 444.56 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 87018774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).