6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine

C24H22F5N3O — CID 123520710

IUPAC6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine
SMILESCOC1=CC(c2ccc(F)c(F)c2)C=C2/C(=N/CC(F)(F)F)C(C)C(C3=CCC=NC3)=NC12
InChIInChI=1S/C24H22F5N3O/c1-13-21(15-4-3-7-30-11-15)32-23-17(22(13)31-12-24(27,28)29)8-16(10-20(23)33-2)14-5-6-18(25)19(26)9-14/h4-10,13,16,23H,3,11-12H2,1-2H3/b31-22+
InChIKeyREHJOOOLOOVTCO-DFKUXCBWSA-N
MW463.45 g/mol
LogP5.38
Rot. Bonds4

About 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine

6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine (PubChem CID 123520710) has the molecular formula C24H22F5N3O and a molecular weight of 463.45 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine
PubChem CID123520710
Molecular FormulaC24H22F5N3O
Molecular Weight463.45 g/mol
Exact Mass463.17
IUPAC Name6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine
SMILESCOC1=CC(c2ccc(F)c(F)c2)C=C2/C(=N/CC(F)(F)F)C(C)C(C3=CCC=NC3)=NC12
InChIInChI=1S/C24H22F5N3O/c1-13-21(15-4-3-7-30-11-15)32-23-17(22(13)31-12-24(27,28)29)8-16(10-20(23)33-2)14-5-6-18(25)19(26)9-14/h4-10,13,16,23H,3,11-12H2,1-2H3/b31-22+
InChIKeyREHJOOOLOOVTCO-DFKUXCBWSA-N
XLogP5.38
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine 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

(2R,5S)-2-Isopropyl-3,6-dimethoxy-5-(4,4,4-trifluoro-3-phenyl-butyl)-2,5-dihydro-pyrazine
CID 67177689
4-[3-(2,4-Difluorophenyl)-6-[1-(3,4-dihydropyridin-5-yl)ethylideneamino]-5-methoxycyclohexa-2,4-dien-1-yl]pentan-1-ol
CID 123244007
2-(3,4-dihydropyridin-5-yl)-6-(3-ethyl-4-fluorophenyl)-N-(5-iminohexyl)-8-methoxy-3-methyl-6,8a-dihydro-3H-quinolin-4-imine
CID 123396232
N-butyl-2-cyclohexa-1,3-dien-1-yl-6-(3-fluorophenyl)-8-methoxy-6,7,8,8a-tetrahydro-3H-quinolin-4-imine
CID 123927495
5-[(4-fluorophenyl)methyl]-3-[(2E,4Z,6Z)-3-fluoro-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-5,6,7,8-tetrahydro-2H-1,4-benzoxazine
CID 178040316

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine?
The IUPAC name of 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine (CID 123520710) is 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine is COC1=CC(c2ccc(F)c(F)c2)C=C2/C(=N/CC(F)(F)F)C(C)C(C3=CCC=NC3)=NC12.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine?
The InChIKey is REHJOOOLOOVTCO-DFKUXCBWSA-N. The full InChI is InChI=1S/C24H22F5N3O/c1-13-21(15-4-3-7-30-11-15)32-23-17(22(13)31-12-24(27,28)29)8-16(10-20(23)33-2)14-5-6-18(25)19(26)9-14/h4-10,13,16,23H,3,11-12H2,1-2H3/b31-22+.
What are the key properties of 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine?
6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine has a molecular weight of 463.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-(2,5-dihydropyridin-3-yl)-8-methoxy-3-methyl-N-(2,2,2-trifluoroethyl)-6,8a-dihydro-3H-quinolin-4-imine is sourced from PubChem (CID 123520710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).