N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide

C20H16ClF3N2O3 — CID 30133939

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)cn2C
InChIInChI=1S/C20H16ClF3N2O3/c1-3-29-12-5-7-17-13(9-12)18(27)14(10-26(17)2)19(28)25-11-4-6-16(21)15(8-11)20(22,23)24/h4-10H,3H2,1-2H3,(H,25,28)
InChIKeyMRXQRXFTBPZRON-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.86
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133939) has the molecular formula C20H16ClF3N2O3 and a molecular weight of 424.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133939
Molecular FormulaC20H16ClF3N2O3
Molecular Weight424.81 g/mol
Exact Mass424.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)cn2C
InChIInChI=1S/C20H16ClF3N2O3/c1-3-29-12-5-7-17-13(9-12)18(27)14(10-26(17)2)19(28)25-11-4-6-16(21)15(8-11)20(22,23)24/h4-10H,3H2,1-2H3,(H,25,28)
InChIKeyMRXQRXFTBPZRON-UHFFFAOYSA-N
XLogP4.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-1-methyl-N-(4-methylphenyl)-4-oxoquinoline-3-carboxamide
CID 30133873
6-ethoxy-1-methyl-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30133888
6-ethoxy-1-methyl-4-oxo-N-phenylquinoline-3-carboxamide
CID 30133870
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
CID 729859
6-ethoxy-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-4-one
CID 30133978
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57402392
6-ethoxy-1-methyl-3-(4-methylpiperazine-1-carbonyl)quinolin-4-one
CID 30133993
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
1-methyl-4-oxo-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57400586
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133939) is N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide is CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)cn2C.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is MRXQRXFTBPZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O3/c1-3-29-12-5-7-17-13(9-12)18(27)14(10-26(17)2)19(28)25-11-4-6-16(21)15(8-11)20(22,23)24/h4-10H,3H2,1-2H3,(H,25,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).