2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one

C21H17N3OS — CID 14575169

IUPAC2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
SMILESCc1ccnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C21H17N3OS/c1-15-11-12-22-16(13-15)14-26-21-23-19-10-6-5-9-18(19)20(25)24(21)17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyUFWFJSIFMZHAMI-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.38
Rot. Bonds4

About 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one

2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one (PubChem CID 14575169) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
PubChem CID14575169
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
SMILESCc1ccnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1
InChIInChI=1S/C21H17N3OS/c1-15-11-12-22-16(13-15)14-26-21-23-19-10-6-5-9-18(19)20(25)24(21)17-7-3-2-4-8-17/h2-13H,14H2,1H3
InChIKeyUFWFJSIFMZHAMI-UHFFFAOYSA-N
XLogP4.38
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-benzylsulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 2385702
2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 46805740
3-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 41479726
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 9491409
7-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2659644
2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 3427684
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
2-[(2,6-difluorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 1041923
3-(3-chlorophenyl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
CID 18206190
2-[(3-chlorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 2201201
2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one
CID 175667679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one (CID 14575169) is 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one is Cc1ccnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one?
The InChIKey is UFWFJSIFMZHAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-15-11-12-22-16(13-15)14-26-21-23-19-10-6-5-9-18(19)20(25)24(21)17-7-3-2-4-8-17/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one?
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 14575169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).