[4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

C96H99Cl4F3N22O13S — CID 159840279

About [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol

[4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 159840279) has the molecular formula C96H99Cl4F3N22O13S and a molecular weight of 1999.86 g/mol. Its IUPAC name is [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• PubChem CID: 159840279
• Molecular Formula: C96H99Cl4F3N22O13S
• Molecular Weight: 1999.86 g/mol
• Exact Mass: 1996.62
• IUPAC Name: [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol
• SMILES: COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3ccnn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCCN(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1nccs1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C
• InChI: InChI=1S/C25H23ClN6O3S.C25H29ClN6O3.C24H22ClF3N4O4.C22H25ClN6O3/c1-14-5-7-18(15(2)29-14)25(33,20-12-28-31-32(20)3)16-6-8-19-17(11-16)22(26)23(24(30-19)34-4)35-13-21-27-9-10-36-21;1-15-7-9-19(16(2)28-15)25(33,21-14-27-30-32(21)5)17-8-10-20-18(13-17)22(26)23(24(29-20)34-6)35-12-11-31(3)4;1-32-19(8-9-30-32)23(33,15-5-7-18(29-13-15)24(26,27)28)14-4-6-17-16(12-14)20(25)21(22(31-17)35-3)36-11-10-34-2;1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h5-12,33H,13H2,1-4H3;7-10,13-14,33H,11-12H2,1-6H3;4-9,12-13,33H,10-11H2,1-3H3;7-12,30H,1-6H3
• InChIKey: NOOYPUHHVVBRLR-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 398.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.86
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The IUPAC name of [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol (CID 159840279) is [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol.

What is the SMILES notation for [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The canonical SMILES for [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is COCCOc1c(OC)nc2ccc(C(O)(c3ccc(C(F)(F)F)nc3)c3ccnn3C)cc2c1Cl.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCCN(C)C.COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3cnnn3C)cc2c(Cl)c1OCc1nccs1.COc1nc2ccc(C(O)(c3cnnn3C)c3cnc(C)n3C)cc2c(Cl)c1OC(C)C.

What is the InChIKey of [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

The InChIKey is NOOYPUHHVVBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN6O3S.C25H29ClN6O3.C24H22ClF3N4O4.C22H25ClN6O3/c1-14-5-7-18(15(2)29-14)25(33,20-12-28-31-32(20)3)16-6-8-19-17(11-16)22(26)23(24(30-19)34-4)35-13-21-27-9-10-36-21;1-15-7-9-19(16(2)28-15)25(33,21-14-27-30-32(21)5)17-8-10-20-18(13-17)22(26)23(24(29-20)34-6)35-12-11-31(3)4;1-32-19(8-9-30-32)23(33,15-5-7-18(29-13-15)24(26,27)28)14-4-6-17-16(12-14)20(25)21(22(31-17)35-3)36-11-10-34-2;1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h5-12,33H,13H2,1-4H3;7-10,13-14,33H,11-12H2,1-6H3;4-9,12-13,33H,10-11H2,1-3H3;7-12,30H,1-6H3.

What are the key properties of [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol?

[4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 1999.86 g/mol, XLogP of 15.11, 29 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-3-[2-(dimethylamino)ethoxy]-2-methoxyquinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(2-methoxyethoxy)quinolin-6-yl]-(2-methylpyrazol-3-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-propan-2-yloxyquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)-(3-methyltriazol-4-yl)methanol;[4-chloro-2-methoxy-3-(1,3-thiazol-2-ylmethoxy)quinolin-6-yl]-(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 159840279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).