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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine

C139H122Cl2F5N23O3 — CID 159661417

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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccc3nc(N)ccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.Nc1ccc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc2n1.Nc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C27H28FN5O.C26H25FN4O2.C25H26FN5.C21H16FN3.C20H13ClFN3.C20H14ClN3/c1-19-16-21(5-7-24(19)28)26-22(4-2-9-29-26)20-6-8-25-23(17-20)27(32-18-31-25)30-10-3-11-33-12-14-34-15-13-33;1-18-15-20(4-6-23(18)27)25-21(3-2-8-28-25)19-5-7-24-22(16-19)26(30-17-29-24)33-14-11-31-9-12-32-13-10-31;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(30-16-29-23)28-12-5-13-31(2)3;1-13-11-16(4-7-18(13)22)21-17(3-2-10-24-21)14-5-8-19-15(12-14)6-9-20(23)25-19;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/h2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);2-8,15-17H,9-14H2,1H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,28,29,30);2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24)
InChIKeyMSVXWALTFWPUDK-UHFFFAOYSA-N
MW2328.56 g/mol
LogP30.16
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine

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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine (PubChem CID 159661417) has the molecular formula C139H122Cl2F5N23O3 and a molecular weight of 2328.56 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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine.

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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine
PubChem CID159661417
Molecular FormulaC139H122Cl2F5N23O3
Molecular Weight2328.56 g/mol
Exact Mass2325.94
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine
SMILESCc1cc(-c2ncccc2-c2ccc3nc(N)ccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.Nc1ccc2cc(-c3cccnc3-c3ccc(F)c(Cl)c3)ccc2n1.Nc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)ccc2n1
InChIInChI=1S/C27H28FN5O.C26H25FN4O2.C25H26FN5.C21H16FN3.C20H13ClFN3.C20H14ClN3/c1-19-16-21(5-7-24(19)28)26-22(4-2-9-29-26)20-6-8-25-23(17-20)27(32-18-31-25)30-10-3-11-33-12-14-34-15-13-33;1-18-15-20(4-6-23(18)27)25-21(3-2-8-28-25)19-5-7-24-22(16-19)26(30-17-29-24)33-14-11-31-9-12-32-13-10-31;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(30-16-29-23)28-12-5-13-31(2)3;1-13-11-16(4-7-18(13)22)21-17(3-2-10-24-21)14-5-8-19-15(12-14)6-9-20(23)25-19;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/h2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);2-8,15-17H,9-14H2,1H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,28,29,30);2-12H,1H3,(H2,23,25);1-11H,(H2,23,25);1-12H,(H2,22,24)
InChIKeyMSVXWALTFWPUDK-UHFFFAOYSA-N
XLogP30.16
TPSA332.88 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.56
LogP ≤ 530.16
H-Bond Donors ≤ 55
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine with MolForge

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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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine?
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine (CID 159661417) 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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine.
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine?
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine is Cc1cc(-c2ncccc2-c2ccc3nc(N)ccc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine?
The InChIKey is MSVXWALTFWPUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O.C26H25FN4O2.C25H26FN5.C21H16FN3.C20H13ClFN3.C20H14ClN3/c1-19-16-21(5-7-24(19)28)26-22(4-2-9-29-26)20-6-8-25-23(17-20)27(32-18-31-25)30-10-3-11-33-12-14-34-15-13-33;1-18-15-20(4-6-23(18)27)25-21(3-2-8-28-25)19-5-7-24-22(16-19)26(30-17-29-24)33-14-11-31-9-12-32-13-10-31;1-17-14-19(7-9-22(17)26)24-20(6-4-11-27-24)18-8-10-23-21(15-18)25(30-16-29-23)28-12-5-13-31(2)3;1-13-11-16(4-7-18(13)22)21-17(3-2-10-24-21)14-5-8-19-15(12-14)6-9-20(23)25-19;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/h2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);2-8,15-17H,9-14H2,1H3;4,6-11,14-16H,5,12-13H2,1-3H3,(H,28,29,30);2-12H,1H3,(H2,23,25);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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine?
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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine has a molecular weight of 2328.56 g/mol, XLogP of 30.16, 26 rotatable bonds, 5 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]-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine;N-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;4-[2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxyethyl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinolin-2-amine is sourced from PubChem (CID 159661417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).