2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide

C17H11F3N2O2 — CID 86798272

IUPAC2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)c1c(F)ccc(F)c1F
InChIInChI=1S/C17H11F3N2O2/c18-11-5-6-12(19)16(20)15(11)17(24)21-8-9-7-14(23)22-13-4-2-1-3-10(9)13/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyMTGIUBOBLOHLLD-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.88
Rot. Bonds3

About 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide

2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide (PubChem CID 86798272) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
PubChem CID86798272
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
SMILESO=C(NCc1cc(=O)[nH]c2ccccc12)c1c(F)ccc(F)c1F
InChIInChI=1S/C17H11F3N2O2/c18-11-5-6-12(19)16(20)15(11)17(24)21-8-9-7-14(23)22-13-4-2-1-3-10(9)13/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyMTGIUBOBLOHLLD-UHFFFAOYSA-N
XLogP2.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]quinoline-8-carboxamide
CID 167993084
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide?
The IUPAC name of 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide (CID 86798272) is 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide?
The canonical SMILES for 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide is O=C(NCc1cc(=O)[nH]c2ccccc12)c1c(F)ccc(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide?
The InChIKey is MTGIUBOBLOHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-11-5-6-12(19)16(20)15(11)17(24)21-8-9-7-14(23)22-13-4-2-1-3-10(9)13/h1-7H,8H2,(H,21,24)(H,22,23).
What are the key properties of 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide?
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide has a molecular weight of 332.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide is sourced from PubChem (CID 86798272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).