2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide

C17H15F3N2O — CID 151013782

IUPAC2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESNC(=O)C1CCCc2nc(Cc3ccc(F)c(F)c3F)ccc21
InChIInChI=1S/C17H15F3N2O/c18-13-7-4-9(15(19)16(13)20)8-10-5-6-11-12(17(21)23)2-1-3-14(11)22-10/h4-7,12H,1-3,8H2,(H2,21,23)
InChIKeyLWQJWGKQAORBHZ-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.99
Rot. Bonds3

About 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide

2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 151013782) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound Name2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID151013782
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESNC(=O)C1CCCc2nc(Cc3ccc(F)c(F)c3F)ccc21
InChIInChI=1S/C17H15F3N2O/c18-13-7-4-9(15(19)16(13)20)8-10-5-6-11-12(17(21)23)2-1-3-14(11)22-10/h4-7,12H,1-3,8H2,(H2,21,23)
InChIKeyLWQJWGKQAORBHZ-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-5-carboxylic acid
CID 22769043
N-cyclopropyl-2-(2,3,4-trifluorophenyl)acetamide
CID 110487434
1-(8-methylidene-6,7-dihydro-5H-quinolin-5-yl)-3-(2,3,4-trifluorophenyl)propan-1-one
CID 159532784
1-[(2,3,4-trifluorophenyl)methyl]cyclohexane-1-carboxamide
CID 69476308
5-chloro-2,3-dihydro-1H-indene-1-carboxamide
CID 14857796
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
6-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 71208473
3-pyrrolidin-2-yl-5-[(2,3,4-trifluorophenyl)methyl]-1H-1,2,4-triazole
CID 82568314
(1S)-6-(3-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66755890
1-[(5S,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660838
1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660839
2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid
CID 70119964

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 151013782) is 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide is NC(=O)C1CCCc2nc(Cc3ccc(F)c(F)c3F)ccc21.
What is the InChIKey of 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is LWQJWGKQAORBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-13-7-4-9(15(19)16(13)20)8-10-5-6-11-12(17(21)23)2-1-3-14(11)22-10/h4-7,12H,1-3,8H2,(H2,21,23).
What are the key properties of 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide?
2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trifluorophenyl)methyl]-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 151013782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).