2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide

C17H16N4O2S — CID 23858759

IUPAC2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccn1
InChIInChI=1S/C17H16N4O2S/c1-11(15(22)20-14-9-5-6-10-18-14)24-17-19-13-8-4-3-7-12(13)16(23)21(17)2/h3-11H,1-2H3,(H,18,20,22)
InChIKeyHDAPUNUWVFFGPS-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide

2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide (PubChem CID 23858759) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide
PubChem CID23858759
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccn1
InChIInChI=1S/C17H16N4O2S/c1-11(15(22)20-14-9-5-6-10-18-14)24-17-19-13-8-4-3-7-12(13)16(23)21(17)2/h3-11H,1-2H3,(H,18,20,22)
InChIKeyHDAPUNUWVFFGPS-UHFFFAOYSA-N
XLogP2.45
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18091213
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
N-(3-methyl-1,2-oxazol-5-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51327601
(2S)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoic acid
CID 10539544
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 5039601
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 3386128
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421279
N-[4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 18085161
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55475510
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
N,N-diethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 6489112
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 9329578

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide (CID 23858759) is 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide is CC(Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccn1.
What is the InChIKey of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide?
The InChIKey is HDAPUNUWVFFGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11(15(22)20-14-9-5-6-10-18-14)24-17-19-13-8-4-3-7-12(13)16(23)21(17)2/h3-11H,1-2H3,(H,18,20,22).
What are the key properties of 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide?
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide has a molecular weight of 340.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 23858759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).