N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide

C16H16F3N3O — CID 155089010

IUPACN-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide
SMILESO=C(NCN1CCCC(F)(F)C1)c1cnc2c(F)cccc2c1
InChIInChI=1S/C16H16F3N3O/c17-13-4-1-3-11-7-12(8-20-14(11)13)15(23)21-10-22-6-2-5-16(18,19)9-22/h1,3-4,7-8H,2,5-6,9-10H2,(H,21,23)
InChIKeyGFKKFZRVXDPWHY-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.79
Rot. Bonds3

About N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide

N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide (PubChem CID 155089010) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide
PubChem CID155089010
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide
SMILESO=C(NCN1CCCC(F)(F)C1)c1cnc2c(F)cccc2c1
InChIInChI=1S/C16H16F3N3O/c17-13-4-1-3-11-7-12(8-20-14(11)13)15(23)21-10-22-6-2-5-16(18,19)9-22/h1,3-4,7-8H,2,5-6,9-10H2,(H,21,23)
InChIKeyGFKKFZRVXDPWHY-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide?
The IUPAC name of N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide (CID 155089010) is N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide?
The canonical SMILES for N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide is O=C(NCN1CCCC(F)(F)C1)c1cnc2c(F)cccc2c1.
What is the InChIKey of N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide?
The InChIKey is GFKKFZRVXDPWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-13-4-1-3-11-7-12(8-20-14(11)13)15(23)21-10-22-6-2-5-16(18,19)9-22/h1,3-4,7-8H,2,5-6,9-10H2,(H,21,23).
What are the key properties of N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide?
N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-1-yl)methyl]-8-fluoroquinoline-3-carboxamide is sourced from PubChem (CID 155089010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).