7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline

C22H18ClF3N2O2 — CID 90986820

IUPAC7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline
SMILESCOc1cc(C)nc2c(C(F)(F)F)cccc12.COc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10F3NO.C10H8ClNO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10/h3-6H,1-2H3;2-6H,1H3
InChIKeyQZGQRIYQEXVVQU-UHFFFAOYSA-N
MW434.85 g/mol
LogP6.47
Rot. Bonds2

About 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline

7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline (PubChem CID 90986820) has the molecular formula C22H18ClF3N2O2 and a molecular weight of 434.85 g/mol. Its IUPAC name is 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline
PubChem CID90986820
Molecular FormulaC22H18ClF3N2O2
Molecular Weight434.85 g/mol
Exact Mass434.10
IUPAC Name7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline
SMILESCOc1cc(C)nc2c(C(F)(F)F)cccc12.COc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C12H10F3NO.C10H8ClNO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10/h3-6H,1-2H3;2-6H,1H3
InChIKeyQZGQRIYQEXVVQU-UHFFFAOYSA-N
XLogP6.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.85
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline 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

Quinoxyfen
CID 3391107
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
7-Chloro-4-(2-(4-(3-piperidinopropoxy)phenyl)ethylamino)quinoline
CID 10873565
7-Chloro-4-(4-(3-piperidinopropoxy)phenylamino)quinoline
CID 10916261
3-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}quinolin-6-yl]phenol
CID 24951598
4-[7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}quinolin-6-yl]phenol
CID 24952323
7-Chloro-3-(3,5-dimethylphenyl)-4-{2-[(2R)-piperidin-2-yl]ethoxy}-6-(pyridin-4-yl)quinoline
CID 24953027
7-Chloro-3-(3,5-dimethylphenyl)-6-(6-fluoropyridin-3-yl)-4-[2-(piperidin-2-yl)ethoxy]quinoline
CID 24953029
7-Chloro-3-(3,5-dimethylphenyl)-6-(6-methoxypyridin-3-yl)-4-{2-[(2r)-piperidin-2-yl]ethoxy}quinoline
CID 52936723
7-Chloro-6-(6-chloropyridin-3-yl)-3-(3,5-dimethylphenyl)-4-{2-[(2r)-piperidin-2-yl]ethoxy}quinoline
CID 52936724
3-[4-(3-Aminopropoxy)-7-chloro-3-(3,5-dimethylphenyl)-6-quinolinyl]phenol
CID 52936725
7-Chloro-4-(2-methoxyphenoxy)quinoline
CID 2442807

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline (CID 90986820) is 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline is COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is QZGQRIYQEXVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO.C10H8ClNO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10/h3-6H,1-2H3;2-6H,1H3.
What are the key properties of 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline?
7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 434.85 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 90986820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).