1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide

C18H18F2N4O2 — CID 96559315

IUPAC1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C18H18F2N4O2/c1-22-17(25)11-4-6-24(7-5-11)16-12(9-21)10-23-15-3-2-13(8-14(15)16)26-18(19)20/h2-3,8,10-11,18H,4-7H2,1H3,(H,22,25)
InChIKeyDTQDENGGRPXWAM-UHFFFAOYSA-N
MW360.36 g/mol
LogP2.67
Rot. Bonds4

About 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide

1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 96559315) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
PubChem CID96559315
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1
InChIInChI=1S/C18H18F2N4O2/c1-22-17(25)11-4-6-24(7-5-11)16-12(9-21)10-23-15-3-2-13(8-14(15)16)26-18(19)20/h2-3,8,10-11,18H,4-7H2,1H3,(H,22,25)
InChIKeyDTQDENGGRPXWAM-UHFFFAOYSA-N
XLogP2.67
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Viquidil
CID 65753
4-Amino-6-methoxyquinoline
CID 223614
1-(6-Methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide
CID 4880286
6-Methoxy-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
CID 44328166
2-(1-heptylpiperidin-4-yl)-N-(6-methoxyquinolin-4-yl)acetamide
CID 44533313
N-[2-[(3R,4R)-3-ethenyl-1-heptylpiperidin-4-yl]ethyl]-6-methoxyquinolin-4-amine
CID 44533339
N-[2-[[(2S)-4,4-Difluoro-2alpha-cyanopyrrolidine]-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
CID 89705275
4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoline
CID 117988898
N-[2-(6-Methoxy-quinolin-4-yl)-ethyl]-propionamide
CID 10061064
Quinetolate
CID 21947
(3R-cis)-1-(6-Methoxy-4-quinolyl)-3-(3-vinyl-4-piperidyl)propan-1-one monohydrochloride
CID 198279
2-(3-methoxyphenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 1359156

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide (CID 96559315) is 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc23)CC1.
What is the InChIKey of 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is DTQDENGGRPXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-22-17(25)11-4-6-24(7-5-11)16-12(9-21)10-23-15-3-2-13(8-14(15)16)26-18(19)20/h2-3,8,10-11,18H,4-7H2,1H3,(H,22,25).
What are the key properties of 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide?
1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-6-(difluoromethoxy)quinolin-4-yl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 96559315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).