7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline

C54H50ClF3N6O7 — CID 157068514

About 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline

7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline (PubChem CID 157068514) has the molecular formula C54H50ClF3N6O7 and a molecular weight of 987.48 g/mol. Its IUPAC name is 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.

Molecular Properties

• Compound Name: 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
• PubChem CID: 157068514
• Molecular Formula: C54H50ClF3N6O7
• Molecular Weight: 987.48 g/mol
• Exact Mass: 986.34
• IUPAC Name: 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline
• SMILES: COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1ccc2c(OC)cc(N)nc2c1.COc1ccc2c(OC)ccnc2c1.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12
• InChI: InChI=1S/C12H10F3NO.C11H12N2O2.C11H11NO2.C10H8ClNO.C10H9NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-14-7-3-4-8-9(5-7)13-11(12)6-10(8)15-2;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3
• InChIKey: RUSZUERKIKMXQX-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 155.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	987.48
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?

The IUPAC name of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline (CID 157068514) is 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline.

What is the SMILES notation for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?

The canonical SMILES for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is COc1cc(C)nc2c(C(F)(F)F)cccc12.COc1ccc2c(OC)cc(N)nc2c1.COc1ccc2c(OC)ccnc2c1.COc1ccnc2cc(Cl)ccc12.COc1ccnc2ccccc12.

What is the InChIKey of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?

The InChIKey is RUSZUERKIKMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO.C11H12N2O2.C11H11NO2.C10H8ClNO.C10H9NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-14-7-3-4-8-9(5-7)13-11(12)6-10(8)15-2;1-13-8-3-4-9-10(7-8)12-6-5-11(9)14-2;1-13-10-4-5-12-9-6-7(11)2-3-8(9)10;1-12-10-6-7-11-9-5-3-2-4-8(9)10/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3;2-6H,1H3;2-7H,1H3.

What are the key properties of 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline?

7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline has a molecular weight of 987.48 g/mol, XLogP of 12.80, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-4-methoxyquinoline;4,7-dimethoxyquinolin-2-amine;4,7-dimethoxyquinoline;4-methoxy-2-methyl-8-(trifluoromethyl)quinoline;4-methoxyquinoline is sourced from PubChem (CID 157068514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).