6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine

C126H89Cl4F5N14O4 — CID 158947159

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine
SMILESCOc1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nccc(N)c3c2)ccc1F.Nc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C22H17FN2O.2C21H14ClFN2O.C21H15ClN2O.C21H16FN3.C20H13ClFN3/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20;1-26-20-8-10-24-19-7-4-13(11-17(19)20)15-3-2-9-25-21(15)16-12-14(22)5-6-18(16)23;1-26-20-8-10-24-19-7-5-13(11-16(19)20)15-3-2-9-25-21(15)14-4-6-18(23)17(22)12-14;1-25-20-9-11-23-19-8-7-14(13-18(19)20)17-6-3-10-24-21(17)15-4-2-5-16(22)12-15;1-13-11-15(4-6-18(13)22)21-16(3-2-9-25-21)14-5-7-20-17(12-14)19(23)8-10-24-20;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/h3-13H,1-2H3;2*2-12H,1H3;2-13H,1H3;2-12H,1H3,(H2,23,24);1-11H,(H2,23,24)
InChIKeyJKYRUBHPKHBARN-UHFFFAOYSA-N
MW2099.99 g/mol
LogP32.91
Rot. Bonds16

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine (PubChem CID 158947159) has the molecular formula C126H89Cl4F5N14O4 and a molecular weight of 2099.99 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine
PubChem CID158947159
Molecular FormulaC126H89Cl4F5N14O4
Molecular Weight2099.99 g/mol
Exact Mass2096.59
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine
SMILESCOc1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nccc(N)c3c2)ccc1F.Nc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12
InChIInChI=1S/C22H17FN2O.2C21H14ClFN2O.C21H15ClN2O.C21H16FN3.C20H13ClFN3/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20;1-26-20-8-10-24-19-7-4-13(11-17(19)20)15-3-2-9-25-21(15)16-12-14(22)5-6-18(16)23;1-26-20-8-10-24-19-7-5-13(11-16(19)20)15-3-2-9-25-21(15)14-4-6-18(23)17(22)12-14;1-25-20-9-11-23-19-8-7-14(13-18(19)20)17-6-3-10-24-21(17)15-4-2-5-16(22)12-15;1-13-11-15(4-6-18(13)22)21-16(3-2-9-25-21)14-5-7-20-17(12-14)19(23)8-10-24-20;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/h3-13H,1-2H3;2*2-12H,1H3;2-13H,1H3;2-12H,1H3,(H2,23,24);1-11H,(H2,23,24)
InChIKeyJKYRUBHPKHBARN-UHFFFAOYSA-N
XLogP32.91
TPSA243.64 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002099.99
LogP ≤ 532.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine (CID 158947159) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine is COc1ccnc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.COc1ccnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3nccc(N)c3c2)ccc1F.Nc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine?
The InChIKey is JKYRUBHPKHBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O.2C21H14ClFN2O.C21H15ClN2O.C21H16FN3.C20H13ClFN3/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20;1-26-20-8-10-24-19-7-4-13(11-17(19)20)15-3-2-9-25-21(15)16-12-14(22)5-6-18(16)23;1-26-20-8-10-24-19-7-5-13(11-16(19)20)15-3-2-9-25-21(15)14-4-6-18(23)17(22)12-14;1-25-20-9-11-23-19-8-7-14(13-18(19)20)17-6-3-10-24-21(17)15-4-2-5-16(22)12-15;1-13-11-15(4-6-18(13)22)21-16(3-2-9-25-21)14-5-7-20-17(12-14)19(23)8-10-24-20;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/h3-13H,1-2H3;2*2-12H,1H3;2-13H,1H3;2-12H,1H3,(H2,23,24);1-11H,(H2,23,24).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine has a molecular weight of 2099.99 g/mol, XLogP of 32.91, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-4-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 158947159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).