3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine

C87H71ClF4N12O4 — CID 157489148

About 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine

3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine (PubChem CID 157489148) has the molecular formula C87H71ClF4N12O4 and a molecular weight of 1460.05 g/mol. Its IUPAC name is 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine.

Molecular Properties

• Compound Name: 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
• PubChem CID: 157489148
• Molecular Formula: C87H71ClF4N12O4
• Molecular Weight: 1460.05 g/mol
• Exact Mass: 1458.53
• IUPAC Name: 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
• SMILES: C.CC(C)Oc1cccc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.Cc1cc(O)cc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.Nc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1ccnc2ccc(-c3cccnc3-c3cccc(OCOC(F)(F)F)c3)cc12
• InChI: InChI=1S/C23H21N3O.C22H16F3N3O2.C21H17N3O.C20H13ClFN3.CH4/c1-15(2)27-18-6-3-5-17(13-18)23-19(7-4-11-26-23)16-8-9-22-20(14-16)21(24)10-12-25-22;23-22(24,25)30-13-29-16-4-1-3-15(11-16)21-17(5-2-9-28-21)14-6-7-20-18(12-14)19(26)8-10-27-20;1-13-9-15(11-16(25)10-13)21-17(3-2-7-24-21)14-4-5-20-18(12-14)19(22)6-8-23-20;21-16-11-13(3-5-17(16)22)20-14(2-1-8-25-20)12-4-6-19-15(10-12)18(23)7-9-24-19;/h3-15H,1-2H3,(H2,24,25);1-12H,13H2,(H2,26,27);2-12,25H,1H3,(H2,22,23);1-11H,(H2,23,24);1H4
• InChIKey: BXBHJKWCKMUXDQ-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 255.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.05
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?

The IUPAC name of 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine (CID 157489148) is 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine.

What is the SMILES notation for 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?

The canonical SMILES for 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine is C.CC(C)Oc1cccc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.Cc1cc(O)cc(-c2ncccc2-c2ccc3nccc(N)c3c2)c1.Nc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.Nc1ccnc2ccc(-c3cccnc3-c3cccc(OCOC(F)(F)F)c3)cc12.

What is the InChIKey of 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?

The InChIKey is BXBHJKWCKMUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O.C22H16F3N3O2.C21H17N3O.C20H13ClFN3.CH4/c1-15(2)27-18-6-3-5-17(13-18)23-19(7-4-11-26-23)16-8-9-22-20(14-16)21(24)10-12-25-22;23-22(24,25)30-13-29-16-4-1-3-15(11-16)21-17(5-2-9-28-21)14-6-7-20-18(12-14)19(26)8-10-27-20;1-13-9-15(11-16(25)10-13)21-17(3-2-7-24-21)14-4-5-20-18(12-14)19(22)6-8-23-20;21-16-11-13(3-5-17(16)22)20-14(2-1-8-25-20)12-4-6-19-15(10-12)18(23)7-9-24-19;/h3-15H,1-2H3,(H2,24,25);1-12H,13H2,(H2,26,27);2-12,25H,1H3,(H2,22,23);1-11H,(H2,23,24);1H4.

What are the key properties of 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?

3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine has a molecular weight of 1460.05 g/mol, XLogP of 21.29, 13 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-aminoquinolin-6-yl)-2-pyridinyl]-5-methylphenol;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;methane;6-[2-(3-propan-2-yloxyphenyl)-3-pyridinyl]quinolin-4-amine;6-[2-[3-(trifluoromethoxymethoxy)phenyl]-3-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 157489148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).