7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide

C18H21FN2OS — CID 86965984

IUPAC7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
SMILESCSC1CCCC(NC(=O)c2cc(C)nc3cc(F)ccc23)C1
InChIInChI=1S/C18H21FN2OS/c1-11-8-16(15-7-6-12(19)9-17(15)20-11)18(22)21-13-4-3-5-14(10-13)23-2/h6-9,13-14H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyKDVDOLHGKDIFRF-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.09
Rot. Bonds3

About 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide

7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide (PubChem CID 86965984) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
PubChem CID86965984
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
SMILESCSC1CCCC(NC(=O)c2cc(C)nc3cc(F)ccc23)C1
InChIInChI=1S/C18H21FN2OS/c1-11-8-16(15-7-6-12(19)9-17(15)20-11)18(22)21-13-4-3-5-14(10-13)23-2/h6-9,13-14H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyKDVDOLHGKDIFRF-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide (CID 86965984) is 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide is CSC1CCCC(NC(=O)c2cc(C)nc3cc(F)ccc23)C1.
What is the InChIKey of 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is KDVDOLHGKDIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-11-8-16(15-7-6-12(19)9-17(15)20-11)18(22)21-13-4-3-5-14(10-13)23-2/h6-9,13-14H,3-5,10H2,1-2H3,(H,21,22).
What are the key properties of 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide?
7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 86965984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).