N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide

C14H14F2N2O2 — CID 107482532

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
SMILESO=C(c1cccc2ncccc12)N(CCO)CC(F)F
InChIInChI=1S/C14H14F2N2O2/c15-13(16)9-18(7-8-19)14(20)11-3-1-5-12-10(11)4-2-6-17-12/h1-6,13,19H,7-9H2
InChIKeyBDRYLLQSQRKRGO-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.93
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide (PubChem CID 107482532) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
PubChem CID107482532
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide
SMILESO=C(c1cccc2ncccc12)N(CCO)CC(F)F
InChIInChI=1S/C14H14F2N2O2/c15-13(16)9-18(7-8-19)14(20)11-3-1-5-12-10(11)4-2-6-17-12/h1-6,13,19H,7-9H2
InChIKeyBDRYLLQSQRKRGO-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzamide
CID 107481586
N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486304
N-(2,2-difluoroethyl)-2,3-difluoro-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 107479235
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)isoquinoline-1-carboxamide
CID 107482402
3-[ethyl(quinoline-5-carbonyl)amino]propanoic acid
CID 61008095
N-(2-aminoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 55218818
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 107494921
2-[2,2-difluoroethyl(quinolin-4-ylmethyl)amino]ethanol
CID 107485059

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide (CID 107482532) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide is O=C(c1cccc2ncccc12)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide?
The InChIKey is BDRYLLQSQRKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c15-13(16)9-18(7-8-19)14(20)11-3-1-5-12-10(11)4-2-6-17-12/h1-6,13,19H,7-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)quinoline-5-carboxamide is sourced from PubChem (CID 107482532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).