ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

C25H31F3N2O4 — CID 58656876

IUPACethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc(OC)c(OC)cc2C(CNCc2cc(C)cc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C25H31F3N2O4/c1-6-34-24(31)30-16(3)9-18(20-11-22(32-4)23(33-5)12-21(20)30)14-29-13-17-7-15(2)8-19(10-17)25(26,27)28/h7-8,10-12,16,18,29H,6,9,13-14H2,1-5H3
InChIKeyGACBLBHHLNWGFE-UHFFFAOYSA-N
MW480.53 g/mol
LogP5.66
Rot. Bonds7

About ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 58656876) has the molecular formula C25H31F3N2O4 and a molecular weight of 480.53 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID58656876
Molecular FormulaC25H31F3N2O4
Molecular Weight480.53 g/mol
Exact Mass480.22
IUPAC Nameethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc(OC)c(OC)cc2C(CNCc2cc(C)cc(C(F)(F)F)c2)CC1C
InChIInChI=1S/C25H31F3N2O4/c1-6-34-24(31)30-16(3)9-18(20-11-22(32-4)23(33-5)12-21(20)30)14-29-13-17-7-15(2)8-19(10-17)25(26,27)28/h7-8,10-12,16,18,29H,6,9,13-14H2,1-5H3
InChIKeyGACBLBHHLNWGFE-UHFFFAOYSA-N
XLogP5.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-Dihydro-6,7-dimethoxy-4-(2-(trifluoromethyl)phenyl)-2(1H)-quinolinone
CID 2938130
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-2(1H)-quinolinone
CID 2964923
(7,8-dimethoxy-2,4,5,9b-tetrahydro-1H-azeto[2,1-a]isoquinolin-1-yl)methyl N-phenylcarbamate
CID 495383
6,7-dimethoxy-4-(3-methylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2958280
(S)-7-[4-(2,5-Difluoro-benzyl)-piperidin-1-yl]-2,3-dimethoxy-7,8,9,10-tetrahydro-5H-phenanthridin-6-one
CID 44393470
6,7-dimethoxy-2-oxo-N-(1-phenylethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 5299707
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 2463905
6,7-Dimethoxy-4-(4-trifluoromethyl-phenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939799
4-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4-dihydroquinolin-2(1H)-one
CID 3244513
[3-[(2-Fluorophenyl)methyl]-6-methoxy-2-oxo-1,4-dihydroquinazolin-7-yl] sulfamate
CID 137637231
4-(2-fluoro-5-methylphenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-quinazolin-2-one
CID 145978779
1-(3,4-Dimethoxyphenyl)-3-(3-methoxyphenyl)piperidin-4-amine
CID 11552616

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate (CID 58656876) is ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1c2cc(OC)c(OC)cc2C(CNCc2cc(C)cc(C(F)(F)F)c2)CC1C.
What is the InChIKey of ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is GACBLBHHLNWGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O4/c1-6-34-24(31)30-16(3)9-18(20-11-22(32-4)23(33-5)12-21(20)30)14-29-13-17-7-15(2)8-19(10-17)25(26,27)28/h7-8,10-12,16,18,29H,6,9,13-14H2,1-5H3.
What are the key properties of ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 480.53 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-2-methyl-4-[[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 58656876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).