6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one

C140H111Cl2F5N22O5 — CID 158332295

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(OCC#N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN4CCCC4=O)c3c2)ccc1F.Cc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cn1.Nc1ccc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc2n1.Nc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C27H25FN4O2.C26H19FN4O.C25H25FN4O.C22H15FN4O.C20H13ClFN3.C20H14ClN3/c1-18-15-20(7-9-23(18)28)26-21(5-2-11-29-26)19-8-10-24-22(16-19)27(31-17-30-24)34-14-4-13-32-12-3-6-25(32)33;1-16-12-19(6-9-23(16)27)25-21(4-3-11-28-25)18-7-10-24-22(13-18)26(31-15-30-24)32-20-8-5-17(2)29-14-20;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(29-16-28-23)31-13-5-12-30(2)3;1-14-11-16(4-6-19(14)23)21-17(3-2-9-25-21)15-5-7-20-18(12-15)22(27-13-26-20)28-10-8-24;21-16-11-14(3-6-17(16)22)20-15(2-1-9-24-20)12-4-7-18-13(10-12)5-8-19(23)25-18;21-16-4-1-3-15(12-16)20-17(5-2-10-23-20)13-6-8-18-14(11-13)7-9-19(22)24-18/h2,5,7-11,15-17H,3-4,6,12-14H2,1H3;3-15H,1-2H3;4,6-11,14-16H,5,12-13H2,1-3H3;2-7,9,11-13H,10H2,1H3;1-11H,(H2,23,25);1-12H,(H2,22,24)
InChIKeyGQDSZGQGXJYNNR-UHFFFAOYSA-N
MW2347.47 g/mol
LogP31.88
Rot. Bonds26

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one (PubChem CID 158332295) has the molecular formula C140H111Cl2F5N22O5 and a molecular weight of 2347.47 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one
PubChem CID158332295
Molecular FormulaC140H111Cl2F5N22O5
Molecular Weight2347.47 g/mol
Exact Mass2344.84
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(OCC#N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN4CCCC4=O)c3c2)ccc1F.Cc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cn1.Nc1ccc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc2n1.Nc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C27H25FN4O2.C26H19FN4O.C25H25FN4O.C22H15FN4O.C20H13ClFN3.C20H14ClN3/c1-18-15-20(7-9-23(18)28)26-21(5-2-11-29-26)19-8-10-24-22(16-19)27(31-17-30-24)34-14-4-13-32-12-3-6-25(32)33;1-16-12-19(6-9-23(16)27)25-21(4-3-11-28-25)18-7-10-24-22(13-18)26(31-15-30-24)32-20-8-5-17(2)29-14-20;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(29-16-28-23)31-13-5-12-30(2)3;1-14-11-16(4-6-19(14)23)21-17(3-2-9-25-21)15-5-7-20-18(12-15)22(27-13-26-20)28-10-8-24;21-16-11-14(3-6-17(16)22)20-15(2-1-9-24-20)12-4-7-18-13(10-12)5-8-19(23)25-18;21-16-4-1-3-15(12-16)20-17(5-2-10-23-20)13-6-8-18-14(11-13)7-9-19(22)24-18/h2,5,7-11,15-17H,3-4,6,12-14H2,1H3;3-15H,1-2H3;4,6-11,14-16H,5,12-13H2,1-3H3;2-7,9,11-13H,10H2,1H3;1-11H,(H2,23,25);1-12H,(H2,22,24)
InChIKeyGQDSZGQGXJYNNR-UHFFFAOYSA-N
XLogP31.88
TPSA355.43 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002347.47
LogP ≤ 531.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one (CID 158332295) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one is Cc1cc(-c2ncccc2-c2ccc3ncnc(OCC#N)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCCN4CCCC4=O)c3c2)ccc1F.Cc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cn1.Nc1ccc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc2n1.Nc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc2n1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one?
The InChIKey is GQDSZGQGXJYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2.C26H19FN4O.C25H25FN4O.C22H15FN4O.C20H13ClFN3.C20H14ClN3/c1-18-15-20(7-9-23(18)28)26-21(5-2-11-29-26)19-8-10-24-22(16-19)27(31-17-30-24)34-14-4-13-32-12-3-6-25(32)33;1-16-12-19(6-9-23(16)27)25-21(4-3-11-28-25)18-7-10-24-22(13-18)26(31-15-30-24)32-20-8-5-17(2)29-14-20;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(29-16-28-23)31-13-5-12-30(2)3;1-14-11-16(4-6-19(14)23)21-17(3-2-9-25-21)15-5-7-20-18(12-15)22(27-13-26-20)28-10-8-24;21-16-11-14(3-6-17(16)22)20-15(2-1-9-24-20)12-4-7-18-13(10-12)5-8-19(23)25-18;21-16-4-1-3-15(12-16)20-17(5-2-10-23-20)13-6-8-18-14(11-13)7-9-19(22)24-18/h2,5,7-11,15-17H,3-4,6,12-14H2,1H3;3-15H,1-2H3;4,6-11,14-16H,5,12-13H2,1-3H3;2-7,9,11-13H,10H2,1H3;1-11H,(H2,23,25);1-12H,(H2,22,24).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one has a molecular weight of 2347.47 g/mol, XLogP of 31.88, 26 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]quinolin-2-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyacetonitrile;3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 158332295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).