N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide

C19H15F3N2O3 — CID 166187993

IUPACN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)cccc1OCC(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c1-11-14(7-4-8-16(11)27-10-19(20,21)22)24-18(26)13-9-17(25)23-15-6-3-2-5-12(13)15/h2-9H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyAYPKXOYODQDLAO-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.03
Rot. Bonds4

About N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166187993) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166187993
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)cccc1OCC(F)(F)F
InChIInChI=1S/C19H15F3N2O3/c1-11-14(7-4-8-16(11)27-10-19(20,21)22)24-18(26)13-9-17(25)23-15-6-3-2-5-12(13)15/h2-9H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyAYPKXOYODQDLAO-UHFFFAOYSA-N
XLogP4.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
N-(2,5-dimethoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 4779254
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 18290394
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
N-[2-(2-methoxyanilino)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 166319507

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide (CID 166187993) is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1c(NC(=O)c2cc(=O)[nH]c3ccccc23)cccc1OCC(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is AYPKXOYODQDLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-14(7-4-8-16(11)27-10-19(20,21)22)24-18(26)13-9-17(25)23-15-6-3-2-5-12(13)15/h2-9H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166187993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).