[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile

C16H20N2OS — CID 71594217

IUPAC[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile
SMILESCCc1c(C)nc2ccc(OC)cc2c1S(C)(C)C#N
InChIInChI=1S/C16H20N2OS/c1-6-13-11(2)18-15-8-7-12(19-3)9-14(15)16(13)20(4,5)10-17/h7-9H,6H2,1-5H3
InChIKeyULNZEGGHCSOTAP-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.02
Rot. Bonds3

About [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile

[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile (PubChem CID 71594217) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile.

Molecular Properties

Compound Name[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile
PubChem CID71594217
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile
SMILESCCc1c(C)nc2ccc(OC)cc2c1S(C)(C)C#N
InChIInChI=1S/C16H20N2OS/c1-6-13-11(2)18-15-8-7-12(19-3)9-14(15)16(13)20(4,5)10-17/h7-9H,6H2,1-5H3
InChIKeyULNZEGGHCSOTAP-UHFFFAOYSA-N
XLogP4.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile with MolForge

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Related Compounds

(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylmethanediamine
CID 3142221
6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
3-(2-aminoethyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82245832
[3-(aminomethyl)-4-ethyl-6-methoxyquinolin-2-yl]methanol
CID 56600408
3-ethyl-2-methyl-6-propoxyquinolin-4-amine
CID 62329382
3-(6-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid
CID 706288
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
CID 57386077
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
4-ethyl-6-methoxy-2,3-diphenylquinoline
CID 22395291
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
3-iodo-6-methoxy-2-methylquinolin-4-amine
CID 121236710
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709

Frequently Asked Questions

What is the IUPAC name of [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile?
The IUPAC name of [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile (CID 71594217) is [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile.
What is the SMILES notation for [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile?
The canonical SMILES for [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile is CCc1c(C)nc2ccc(OC)cc2c1S(C)(C)C#N.
What is the InChIKey of [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile?
The InChIKey is ULNZEGGHCSOTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-6-13-11(2)18-15-8-7-12(19-3)9-14(15)16(13)20(4,5)10-17/h7-9H,6H2,1-5H3.
What are the key properties of [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile?
[(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile has a molecular weight of 288.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethyl-6-methoxy-2-methylquinolin-4-yl)-dimethyl-λ4-sulfanyl]formonitrile is sourced from PubChem (CID 71594217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).