4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline

C20H17FN4OS — CID 8002846

IUPAC4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(Sc3nnc(-c4ccc(F)cc4)n3C)c2c1
InChIInChI=1S/C20H17FN4OS/c1-12-10-18(16-11-15(26-3)8-9-17(16)22-12)27-20-24-23-19(25(20)2)13-4-6-14(21)7-5-13/h4-11H,1-3H3
InChIKeyFPWTZAOLUDMRAW-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.64
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline

4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline (PubChem CID 8002846) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline
PubChem CID8002846
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(Sc3nnc(-c4ccc(F)cc4)n3C)c2c1
InChIInChI=1S/C20H17FN4OS/c1-12-10-18(16-11-15(26-3)8-9-17(16)22-12)27-20-24-23-19(25(20)2)13-4-6-14(21)7-5-13/h4-11H,1-3H3
InChIKeyFPWTZAOLUDMRAW-UHFFFAOYSA-N
XLogP4.64
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline with MolForge

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Related Compounds

3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7897450
3-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-methyl-1,2,4-triazole
CID 7870112
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
2,6-dimethyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133396557
N-[1-(4-fluorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 46669540
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7812828
N-(4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 798853
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7516210
2-[1-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135991758
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7812861
(2R)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 2508772
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline?
The IUPAC name of 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline (CID 8002846) is 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(Sc3nnc(-c4ccc(F)cc4)n3C)c2c1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline?
The InChIKey is FPWTZAOLUDMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-12-10-18(16-11-15(26-3)8-9-17(16)22-12)27-20-24-23-19(25(20)2)13-4-6-14(21)7-5-13/h4-11H,1-3H3.
What are the key properties of 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline?
4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline has a molecular weight of 380.45 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methoxy-2-methylquinoline is sourced from PubChem (CID 8002846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).