N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

C15H19F3N2O — CID 115519993

IUPACN-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CNc2ccccc2C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)7-3-4-8-19-14(21)12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,20H,3-4,7-10H2,(H,19,21)
InChIKeyHJGOCCDCLJDNKE-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.12
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 115519993) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID115519993
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCCCCC(F)(F)F)C1CNc2ccccc2C1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)7-3-4-8-19-14(21)12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,20H,3-4,7-10H2,(H,19,21)
InChIKeyHJGOCCDCLJDNKE-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527808
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106135423
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-[(4-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901620

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 115519993) is N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NCCCCC(F)(F)F)C1CNc2ccccc2C1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is HJGOCCDCLJDNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)7-3-4-8-19-14(21)12-9-11-5-1-2-6-13(11)20-10-12/h1-2,5-6,12,20H,3-4,7-10H2,(H,19,21).
What are the key properties of N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 115519993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).