4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide

C23H21F3N2O2 — CID 134537543

IUPAC4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C23H21F3N2O2/c1-3-28-20-10-9-15(11-19(20)18(13-21(28)29)14-7-8-14)22(30)27(2)17-6-4-5-16(12-17)23(24,25)26/h4-6,9-14H,3,7-8H2,1-2H3
InChIKeyWMHNZRITIYOQPB-UHFFFAOYSA-N
MW414.43 g/mol
LogP5.19
Rot. Bonds4

About 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide

4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide (PubChem CID 134537543) has the molecular formula C23H21F3N2O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
PubChem CID134537543
Molecular FormulaC23H21F3N2O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C23H21F3N2O2/c1-3-28-20-10-9-15(11-19(20)18(13-21(28)29)14-7-8-14)22(30)27(2)17-6-4-5-16(12-17)23(24,25)26/h4-6,9-14H,3,7-8H2,1-2H3
InChIKeyWMHNZRITIYOQPB-UHFFFAOYSA-N
XLogP5.19
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.43
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-1-ethyl-N-(4-fluorophenyl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134537268
3-chloro-N-[1-ethyl-2-oxo-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]quinolin-6-yl]-N-methylbenzamide
CID 134537266
1-ethyl-N-methyl-4-(1-methylpiperidin-4-yl)-N-(4-methyl-3-propylphenyl)-2-oxoquinoline-6-carboxamide
CID 146952436
N-[1-ethyl-4-[1-(2-methoxyethyl)piperidin-4-yl]-2-oxoquinolin-6-yl]-N-methylbenzamide
CID 134537587
2-amino-4-cyclopropyl-N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-N-methylbenzamide
CID 134537501
N-(4-cyclopropyl-1-ethyl-2-oxoquinolin-6-yl)-2-(methanesulfonamido)-N-methylbenzamide
CID 134537515
N-cyclohexa-1,5-dien-1-yl-1-ethyl-4-(1-ethylpiperidin-4-yl)-N-methyl-2-oxoquinoline-6-carboxamide
CID 134547621
4-cyclopropyl-1-ethyl-6-methylquinolin-2-one;ethane
CID 145235316
3,5-dichloro-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1475846
[1-amino-3-(1-methylpiperidin-4-yl)indol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 154264295
(E)-3-[3-[methyl-[3-(trifluoromethyl)benzoyl]amino]phenyl]prop-2-enoic acid
CID 155125622
9-ethyl-N,N-dimethylcarbazole-3-carboxamide
CID 163964567

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The IUPAC name of 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide (CID 134537543) is 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide.
What is the SMILES notation for 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The canonical SMILES for 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide is CCn1c(=O)cc(C2CC2)c2cc(C(=O)N(C)c3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
The InChIKey is WMHNZRITIYOQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O2/c1-3-28-20-10-9-15(11-19(20)18(13-21(28)29)14-7-8-14)22(30)27(2)17-6-4-5-16(12-17)23(24,25)26/h4-6,9-14H,3,7-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide?
4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-ethyl-N-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 134537543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).