7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide

C17H20FN3O — CID 120575715

IUPAC7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H20FN3O/c1-10-14(8-12-5-6-13(18)9-16(12)20-10)17(22)21-15-4-3-7-19-11(15)2/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyIKHRSKSJRQAESU-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.55
Rot. Bonds2

About 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide

7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide (PubChem CID 120575715) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
PubChem CID120575715
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C17H20FN3O/c1-10-14(8-12-5-6-13(18)9-16(12)20-10)17(22)21-15-4-3-7-19-11(15)2/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22)
InChIKeyIKHRSKSJRQAESU-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide;hydrochloride
CID 120573600
7-fluoro-2-methyl-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 17469585
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
1-(4-fluorophenyl)-3-(2-methylpiperidin-3-yl)urea
CID 79044134
7-bromo-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-4-carboxamide;dihydrochloride
CID 120574506
2-[(4-fluorophenyl)methyl]-4-methyl-N-(2-methylpiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 120575125
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
7-fluoro-2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)quinoline-3-carboxamide
CID 86923970
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide (CID 120575715) is 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)NC1CCCNC1C.
What is the InChIKey of 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide?
The InChIKey is IKHRSKSJRQAESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10-14(8-12-5-6-13(18)9-16(12)20-10)17(22)21-15-4-3-7-19-11(15)2/h5-6,8-9,11,15,19H,3-4,7H2,1-2H3,(H,21,22).
What are the key properties of 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide?
7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide has a molecular weight of 301.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide is sourced from PubChem (CID 120575715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).