8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide

C20H17F3N2O3 — CID 162540358

IUPAC8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C20H17F3N2O3/c1-11-6-7-16(28-2)18-17(11)15(26)9-14(25-18)19(27)24-10-12-4-3-5-13(8-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySYOXAKLCKVIVOE-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.79
Rot. Bonds4

About 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide

8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide (PubChem CID 162540358) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
PubChem CID162540358
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]c12
InChIInChI=1S/C20H17F3N2O3/c1-11-6-7-16(28-2)18-17(11)15(26)9-14(25-18)19(27)24-10-12-4-3-5-13(8-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,24,27)(H,25,26)
InChIKeySYOXAKLCKVIVOE-UHFFFAOYSA-N
XLogP3.79
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
5-(2,4-dioxo-1,3-thiazolidin-5-yl)-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 15426631
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100676875
4,6,7-trimethoxy-N-[[3-(methylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 31953617

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide (CID 162540358) is 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide is COc1ccc(C)c2c(=O)cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide?
The InChIKey is SYOXAKLCKVIVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-11-6-7-16(28-2)18-17(11)15(26)9-14(25-18)19(27)24-10-12-4-3-5-13(8-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide?
8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 162540358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).