2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline

C19H16N4S — CID 801633

IUPAC2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline
SMILESCc1cc(Sc2nnc(-c3ccccc3)n2C)c2ccccc2n1
InChIInChI=1S/C19H16N4S/c1-13-12-17(15-10-6-7-11-16(15)20-13)24-19-22-21-18(23(19)2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyFNVBZXUVZCLCPN-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.49
Rot. Bonds3

About 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline

2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline (PubChem CID 801633) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline
PubChem CID801633
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline
SMILESCc1cc(Sc2nnc(-c3ccccc3)n2C)c2ccccc2n1
InChIInChI=1S/C19H16N4S/c1-13-12-17(15-10-6-7-11-16(15)20-13)24-19-22-21-18(23(19)2)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyFNVBZXUVZCLCPN-UHFFFAOYSA-N
XLogP4.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-allyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]quinoline
CID 2823552
N,N-dimethyl-N'-[5-(2-methylquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanimidamide
CID 9583102
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylthio)quinazolin-4-amine
CID 10268530
2-Methyl-5-[4-methyl-5-[3-(1-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)propylsulfanyl]-1,2,4-triazol-3-yl]quinoline
CID 44626632
5-[5-[3-[1-(4-Tert-butylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-2-methylquinoline
CID 44626637
N,N-dimethyl-N'-[5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazol-2-yl]methanimidamide
CID 2799534
2-Methyl-4-(3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)quinoline
CID 972436
3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-methyl-1H-indole
CID 2822112
3,7-Dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
CID 4176954
2-methyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]sulfanylquinazoline
CID 10674384
2-(4-Phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-1-prop-2-enylindole
CID 155538037
2-[(4-allyl-5-quinolin-6-yl-4H-1,2,4-triazol-3-yl)thio]acetonitrile
CID 2823554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline?
The IUPAC name of 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline (CID 801633) is 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline.
What is the SMILES notation for 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline?
The canonical SMILES for 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline is Cc1cc(Sc2nnc(-c3ccccc3)n2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline?
The InChIKey is FNVBZXUVZCLCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-13-12-17(15-10-6-7-11-16(15)20-13)24-19-22-21-18(23(19)2)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline?
2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline has a molecular weight of 332.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]quinoline is sourced from PubChem (CID 801633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).