2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide

C17H21F4N3O — CID 169264291

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide
SMILESCc1c2c(nc(N3CCC(F)(F)C(C)C3)c1C(N)=O)CCC(F)(F)C2
InChIInChI=1S/C17H21F4N3O/c1-9-8-24(6-5-17(9,20)21)15-13(14(22)25)10(2)11-7-16(18,19)4-3-12(11)23-15/h9H,3-8H2,1-2H3,(H2,22,25)
InChIKeyILMNCWSUPKVBBI-UHFFFAOYSA-N
MW359.37 g/mol
LogP3.09
Rot. Bonds2

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide (PubChem CID 169264291) has the molecular formula C17H21F4N3O and a molecular weight of 359.37 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide
PubChem CID169264291
Molecular FormulaC17H21F4N3O
Molecular Weight359.37 g/mol
Exact Mass359.16
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide
SMILESCc1c2c(nc(N3CCC(F)(F)C(C)C3)c1C(N)=O)CCC(F)(F)C2
InChIInChI=1S/C17H21F4N3O/c1-9-8-24(6-5-17(9,20)21)15-13(14(22)25)10(2)11-7-16(18,19)4-3-12(11)23-15/h9H,3-8H2,1-2H3,(H2,22,25)
InChIKeyILMNCWSUPKVBBI-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-Butylamino-6-phenyl-4-trifluoromethyl-nicotinamide
CID 1904911
7-(4-Methylphenyl)-1-propyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2474394
N-[3-(Diethylamino)propyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008613
1-(2-Methylpropyl)-7-phenyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2451919
N-Benzyl-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008609
1-Benzyl-7-methyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2353924
1-Butyl-3,7-dimethyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2125468
1-Ethyl-7-(4-methylphenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 4798133
1-Ethyl-5,7-bis(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 4854648
N-[(4-Fluorophenyl)methyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008607
2-amino-6-(cyclohexanecarbonyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620872
1,3-Dimethyl-7-(1-propanoylpiperidin-3-yl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264740

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide (CID 169264291) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide is Cc1c2c(nc(N3CCC(F)(F)C(C)C3)c1C(N)=O)CCC(F)(F)C2.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide?
The InChIKey is ILMNCWSUPKVBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3O/c1-9-8-24(6-5-17(9,20)21)15-13(14(22)25)10(2)11-7-16(18,19)4-3-12(11)23-15/h9H,3-8H2,1-2H3,(H2,22,25).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide has a molecular weight of 359.37 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-6,6-difluoro-4-methyl-7,8-dihydro-5H-quinoline-3-carboxamide is sourced from PubChem (CID 169264291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).