3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide

C22H18N4O2S — CID 23973161

IUPAC3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccnc1
InChIInChI=1S/C22H18N4O2S/c27-20(24-16-7-6-13-23-15-16)12-14-29-22-25-19-11-5-4-10-18(19)21(28)26(22)17-8-2-1-3-9-17/h1-11,13,15H,12,14H2,(H,24,27)
InChIKeyMCJQJTVAOZOEIM-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.90
Rot. Bonds6

About 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide

3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide (PubChem CID 23973161) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
PubChem CID23973161
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccnc1
InChIInChI=1S/C22H18N4O2S/c27-20(24-16-7-6-13-23-15-16)12-14-29-22-25-19-11-5-4-10-18(19)21(28)26(22)17-8-2-1-3-9-17/h1-11,13,15H,12,14H2,(H,24,27)
InChIKeyMCJQJTVAOZOEIM-UHFFFAOYSA-N
XLogP3.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23861407
3-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589494
3-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 24589752
methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 23832964
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6886795
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
N-naphthalen-2-yl-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4666942
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17401059
4-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)butanamide
CID 42739980

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide (CID 23973161) is 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide is O=C(CCSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccnc1.
What is the InChIKey of 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide?
The InChIKey is MCJQJTVAOZOEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c27-20(24-16-7-6-13-23-15-16)12-14-29-22-25-19-11-5-4-10-18(19)21(28)26(22)17-8-2-1-3-9-17/h1-11,13,15H,12,14H2,(H,24,27).
What are the key properties of 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide?
3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide has a molecular weight of 402.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 23973161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).