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

C18H21FN2O — CID 17469585

IUPAC7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H21FN2O/c1-11-3-7-15(8-4-11)21-18(22)16-9-13-5-6-14(19)10-17(13)20-12(16)2/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyYWLBKBIZZMRVIB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.99
Rot. Bonds2

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

7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide (PubChem CID 17469585) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
PubChem CID17469585
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H21FN2O/c1-11-3-7-15(8-4-11)21-18(22)16-9-13-5-6-14(19)10-17(13)20-12(16)2/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyYWLBKBIZZMRVIB-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
CID 120575715
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
CID 110486348

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide (CID 17469585) is 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
The InChIKey is YWLBKBIZZMRVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-11-3-7-15(8-4-11)21-18(22)16-9-13-5-6-14(19)10-17(13)20-12(16)2/h5-6,9-11,15H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide?
7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide is sourced from PubChem (CID 17469585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).