7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

C18H15N5OS — CID 723133

IUPAC7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCOc1ccc2c(C)cc(Sc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C18H15N5OS/c1-12-10-17(19-16-11-14(24-2)8-9-15(12)16)25-18-20-21-22-23(18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyMOEIJXLCHBBKEC-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.68
Rot. Bonds4

About 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline

7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (PubChem CID 723133) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.

Molecular Properties

Compound Name7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
PubChem CID723133
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline
SMILESCOc1ccc2c(C)cc(Sc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C18H15N5OS/c1-12-10-17(19-16-11-14(24-2)8-9-15(12)16)25-18-20-21-22-23(18)13-6-4-3-5-7-13/h3-11H,1-2H3
InChIKeyMOEIJXLCHBBKEC-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-Tert-butylphenyl)-1,2,4-thiadiazol-3-YL]-2-[(7-methoxy-4-methylquinolin-2-YL)sulfanyl]acetamide
CID 4057980
2-[(7-Methoxy-4-methylquinolin-2-YL)sulfanyl]-N-[5-(2-methylphenyl)-1,2,4-thiadiazol-3-YL]acetamide
CID 15991368
(NE)-N-[2-[[5-[2-(4-methoxyphenyl)quinolin-4-yl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethylidene]hydroxylamine
CID 164617227
8-Methoxy-5-methyltetrazolo[1,5-a]quinoline
CID 2238833
8-Methoxy-5-phenyltetraazolo[1,5-a]quinoline
CID 732211
N-(5-Ethyl-1,3,4-thiadiazol-2-YL)-2-[(7-methoxy-3-methylquinolin-2-YL)sulfanyl]acetamide
CID 1176215
2-[(7-Methoxy-4-methylquinolin-2-YL)sulfanyl]-N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-YL]acetamide
CID 3516609
1-[2-(2-Fluorophenoxy)ethylsulfanyl]-8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
CID 4796871
2-[(7-Methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 17393759
1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-
CID 3078011
1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-
CID 3078015
1,2,4-Triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 9-methoxy-3-phenyl-
CID 3078018

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The IUPAC name of 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline (CID 723133) is 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline.
What is the SMILES notation for 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The canonical SMILES for 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is COc1ccc2c(C)cc(Sc3nnnn3-c3ccccc3)nc2c1.
What is the InChIKey of 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
The InChIKey is MOEIJXLCHBBKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-10-17(19-16-11-14(24-2)8-9-15(12)16)25-18-20-21-22-23(18)13-6-4-3-5-7-13/h3-11H,1-2H3.
What are the key properties of 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline?
7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline has a molecular weight of 349.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2-(1-phenyltetrazol-5-yl)sulfanylquinoline is sourced from PubChem (CID 723133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).