4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

C56H36Cl6F10N4 — CID 160784923

IUPAC4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/2C18H12ClF4N.2C10H6Cl2FN/c1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3
InChIKeySBBRDVNIXYDWPB-UHFFFAOYSA-N
MW1167.63 g/mol
LogP20.64
Rot. Bonds2

About 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline

4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (PubChem CID 160784923) has the molecular formula C56H36Cl6F10N4 and a molecular weight of 1167.63 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
PubChem CID160784923
Molecular FormulaC56H36Cl6F10N4
Molecular Weight1167.63 g/mol
Exact Mass1164.09
IUPAC Name4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline
SMILESCc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1
InChIInChI=1S/2C18H12ClF4N.2C10H6Cl2FN/c1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3
InChIKeySBBRDVNIXYDWPB-UHFFFAOYSA-N
XLogP20.64
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.63
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline 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

Bis(2-chloro-4-methyl-6-quinolyl)methane
CID 268954
2-chloro-3-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 127041139
3-[(Z)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-2-chloroquinoline
CID 127041142
2-chloro-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 127041140
7-Chloro-2-[3-(7-chloroquinolin-2-yl)-2-(4-fluorophenyl)propyl]quinoline
CID 132563540
4-(4-Chlorophenyl)-2-(4-fluorophenyl)-5,6-dihydrobenzo[j][1,7]phenanthroline
CID 134689886
Acridine;acridin-10-ium;chloroform;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139051544
N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
CID 139147183
4-[2-(4-Methylphenyl)ethynyl]-2,8-bis(trifluoromethyl)quinoline
CID 139204517
8-Methyl-2-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethynyl]quinoline
CID 139204524
4-[2-(4-Tert-butylphenyl)ethynyl]-8-methyl-2-(trifluoromethyl)quinoline
CID 139204531
Bis(2-chloro-6-(6-chloro-2-pyridinyl)pyridine);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide);dihydrate
CID 139238457

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The IUPAC name of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline (CID 160784923) is 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline.
What is the SMILES notation for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The canonical SMILES for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is Cc1c(Cl)nc2cc(F)ccc2c1Cl.Cc1c(Cl)nc2cccc(F)c2c1Cl.Cc1cc(-c2nc3cc(F)ccc3c(Cl)c2C)cc(C(F)(F)F)c1.Cc1cc(-c2nc3cccc(F)c3c(Cl)c2C)cc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
The InChIKey is SBBRDVNIXYDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H12ClF4N.2C10H6Cl2FN/c1-9-5-11(7-12(6-9)18(21,22)23)17-10(2)16(19)14-4-3-13(20)8-15(14)24-17;1-9-6-11(8-12(7-9)18(21,22)23)17-10(2)16(19)15-13(20)4-3-5-14(15)24-17;1-5-9(11)7-3-2-6(13)4-8(7)14-10(5)12;1-5-9(11)8-6(13)3-2-4-7(8)14-10(5)12/h2*3-8H,1-2H3;2*2-4H,1H3.
What are the key properties of 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline?
4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline has a molecular weight of 1167.63 g/mol, XLogP of 20.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;4-chloro-7-fluoro-3-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]quinoline;2,4-dichloro-5-fluoro-3-methylquinoline;2,4-dichloro-7-fluoro-3-methylquinoline is sourced from PubChem (CID 160784923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).