6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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

C153H148ClF5N28O3 — CID 158938647

IUPAC6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.N#Cc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)cnc2n1
InChIInChI=1S/C28H30FN5.C27H28FN5O.C27H28FN5.C26H25FN4O2.C25H26FN5.C20H11ClN4/c1-19-16-22(5-7-25(19)29)27-23(4-3-12-30-27)21-6-8-26-24(17-21)28(33-18-32-26)31-13-9-20-10-14-34(2)15-11-20;1-19-16-21(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;1-18-14-21(5-7-24(18)28)26-22(4-3-11-29-26)20-6-8-25-23(15-20)27(32-17-31-25)30-16-19-9-12-33(2)13-10-19;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;21-16-4-1-3-13(10-16)19-18(5-2-8-23-19)15-9-14-6-7-17(11-22)25-20(14)24-12-15/h3-8,12,16-18,20H,9-11,13-15H2,1-2H3,(H,31,32,33);2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);3-8,11,14-15,17,19H,9-10,12-13,16H2,1-2H3,(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);1-10,12H
InChIKeyJJYVLUBFTQNOBC-UHFFFAOYSA-N
MW2557.50 g/mol
LogP31.02
Rot. Bonds33

About 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 (PubChem CID 158938647) has the molecular formula C153H148ClF5N28O3 and a molecular weight of 2557.50 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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
PubChem CID158938647
Molecular FormulaC153H148ClF5N28O3
Molecular Weight2557.50 g/mol
Exact Mass2555.19
IUPAC Name6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(NCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.N#Cc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)cnc2n1
InChIInChI=1S/C28H30FN5.C27H28FN5O.C27H28FN5.C26H25FN4O2.C25H26FN5.C20H11ClN4/c1-19-16-22(5-7-25(19)29)27-23(4-3-12-30-27)21-6-8-26-24(17-21)28(33-18-32-26)31-13-9-20-10-14-34(2)15-11-20;1-19-16-21(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;1-18-14-21(5-7-24(18)28)26-22(4-3-11-29-26)20-6-8-25-23(15-20)27(32-17-31-25)30-16-19-9-12-33(2)13-10-19;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;21-16-4-1-3-13(10-16)19-18(5-2-8-23-19)15-9-14-6-7-17(11-22)25-20(14)24-12-15/h3-8,12,16-18,20H,9-11,13-15H2,1-2H3,(H,31,32,33);2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);3-8,11,14-15,17,19H,9-10,12-13,16H2,1-2H3,(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);1-10,12H
InChIKeyJJYVLUBFTQNOBC-UHFFFAOYSA-N
XLogP31.02
TPSA347.82 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds33
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002557.50
LogP ≤ 531.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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?
The IUPAC name of 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 (CID 158938647) is 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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.
What is the SMILES notation for 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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?
The canonical SMILES for 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 is Cc1cc(-c2ncccc2-c2ccc3ncnc(NCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCC4CCN(C)CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NCCCN4CCOCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(OCCN4CCOCC4)c3c2)ccc1F.N#Cc1ccc2cc(-c3cccnc3-c3cccc(Cl)c3)cnc2n1.
What is the InChIKey of 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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?
The InChIKey is JJYVLUBFTQNOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5.C27H28FN5O.C27H28FN5.C26H25FN4O2.C25H26FN5.C20H11ClN4/c1-19-16-22(5-7-25(19)29)27-23(4-3-12-30-27)21-6-8-26-24(17-21)28(33-18-32-26)31-13-9-20-10-14-34(2)15-11-20;1-19-16-21(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;1-18-14-21(5-7-24(18)28)26-22(4-3-11-29-26)20-6-8-25-23(15-20)27(32-17-31-25)30-16-19-9-12-33(2)13-10-19;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;21-16-4-1-3-13(10-16)19-18(5-2-8-23-19)15-9-14-6-7-17(11-22)25-20(14)24-12-15/h3-8,12,16-18,20H,9-11,13-15H2,1-2H3,(H,31,32,33);2,4-9,16-18H,3,10-15H2,1H3,(H,30,31,32);3-8,11,14-15,17,19H,9-10,12-13,16H2,1-2H3,(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);1-10,12H.
What are the key properties of 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 has a molecular weight of 2557.50 g/mol, XLogP of 31.02, 33 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)-3-pyridinyl]-1,8-naphthyridine-2-carbonitrile;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]quinazolin-4-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 is sourced from PubChem (CID 158938647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).