2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide

C19H15F3N2O2 — CID 86981159

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c1-12-16(9-13-5-2-3-8-17(13)23-12)18(25)24-14-6-4-7-15(10-14)26-11-19(20,21)22/h2-10H,11H2,1H3,(H,24,25)
InChIKeySXKHCGRMNRBLDZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.74
Rot. Bonds4

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide

2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide (PubChem CID 86981159) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide
PubChem CID86981159
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)Nc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C19H15F3N2O2/c1-12-16(9-13-5-2-3-8-17(13)23-12)18(25)24-14-6-4-7-15(10-14)26-11-19(20,21)22/h2-10H,11H2,1H3,(H,24,25)
InChIKeySXKHCGRMNRBLDZ-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 2140491
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
5-bromo-2-chloro-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34378925
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
methyl N-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]phenyl]carbamate
CID 87025782
N-(3-acetamidophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110861356
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
2-amino-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 118986422
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 56530573
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide (CID 86981159) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)Nc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide?
The InChIKey is SXKHCGRMNRBLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c1-12-16(9-13-5-2-3-8-17(13)23-12)18(25)24-14-6-4-7-15(10-14)26-11-19(20,21)22/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 86981159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).