N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide

C13H11F3N2O2 — CID 103726459

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)11(19)7-18-12(20)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11,19H,7H2,(H,18,20)
InChIKeyXTDKBCYDXVLUMZ-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.89
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide (PubChem CID 103726459) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
PubChem CID103726459
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc2ncccc2c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)11(19)7-18-12(20)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11,19H,7H2,(H,18,20)
InChIKeyXTDKBCYDXVLUMZ-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-(2-chlorobutyl)quinoline-6-carboxamide
CID 113492848
N-(2-chloro-2-cyclopropylethyl)quinoline-6-carboxamide
CID 113273458
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide (CID 103726459) is N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccc2ncccc2c1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide?
The InChIKey is XTDKBCYDXVLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)11(19)7-18-12(20)9-3-4-10-8(6-9)2-1-5-17-10/h1-6,11,19H,7H2,(H,18,20).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide is sourced from PubChem (CID 103726459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).