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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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).