N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide

C149H127F6N25O2 — CID 158619690

IUPACN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide
SMILESCCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccc(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cc1.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C(N)=O)cc4)c3c2)ccc1F
InChIInChI=1S/C27H20FN5O.C27H21FN4O.C25H23FN4.C24H23FN4.C23H19FN4.C23H21FN4/c1-16-13-19(6-10-23(16)28)25-21(3-2-12-30-25)18-7-11-24-22(14-18)27(32-15-31-24)33-20-8-4-17(5-9-20)26(29)34;1-17-14-19(5-11-24(17)28)26-22(4-3-13-29-26)18-6-12-25-23(15-18)27(31-16-30-25)32-20-7-9-21(33-2)10-8-20;1-16-13-18(8-10-22(16)26)24-20(7-4-12-27-24)17-9-11-23-21(14-17)25(29-15-28-23)30-19-5-2-3-6-19;1-3-4-11-27-24-20-14-17(8-10-22(20)28-15-29-24)19-6-5-12-26-23(19)18-7-9-21(25)16(2)13-18;1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17;1-3-10-26-23-19-13-16(7-9-21(19)27-14-28-23)18-5-4-11-25-22(18)17-6-8-20(24)15(2)12-17/h2-15H,1H3,(H2,29,34)(H,31,32,33);3-16H,1-2H3,(H,30,31,32);4,7-15,19H,2-3,5-6H2,1H3,(H,28,29,30);5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28)
InChIKeyHXVMVHKLUJQCSB-UHFFFAOYSA-N
MW2413.82 g/mol
LogP35.40
Rot. Bonds29

About N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide

N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide (PubChem CID 158619690) has the molecular formula C149H127F6N25O2 and a molecular weight of 2413.82 g/mol. Its IUPAC name is N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide
PubChem CID158619690
Molecular FormulaC149H127F6N25O2
Molecular Weight2413.82 g/mol
Exact Mass2412.05
IUPAC NameN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide
SMILESCCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccc(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cc1.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C(N)=O)cc4)c3c2)ccc1F
InChIInChI=1S/C27H20FN5O.C27H21FN4O.C25H23FN4.C24H23FN4.C23H19FN4.C23H21FN4/c1-16-13-19(6-10-23(16)28)25-21(3-2-12-30-25)18-7-11-24-22(14-18)27(32-15-31-24)33-20-8-4-17(5-9-20)26(29)34;1-17-14-19(5-11-24(17)28)26-22(4-3-13-29-26)18-6-12-25-23(15-18)27(31-16-30-25)32-20-7-9-21(33-2)10-8-20;1-16-13-18(8-10-22(16)26)24-20(7-4-12-27-24)17-9-11-23-21(14-17)25(29-15-28-23)30-19-5-2-3-6-19;1-3-4-11-27-24-20-14-17(8-10-22(20)28-15-29-24)19-6-5-12-26-23(19)18-7-9-21(25)16(2)13-18;1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17;1-3-10-26-23-19-13-16(7-9-21(19)27-14-28-23)18-5-4-11-25-22(18)17-6-8-20(24)15(2)12-17/h2-15H,1H3,(H2,29,34)(H,31,32,33);3-16H,1-2H3,(H,30,31,32);4,7-15,19H,2-3,5-6H2,1H3,(H,28,29,30);5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28)
InChIKeyHXVMVHKLUJQCSB-UHFFFAOYSA-N
XLogP35.40
TPSA356.52 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.82
LogP ≤ 535.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide 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

US10030016, Example 5.5
CID 68161263
N-(4-methoxyphenyl)-2-pyrimidin-4-ylquinoline-4-carboxamide
CID 56946176
3-(2-aminoquinazolin-6-yl)-4-methyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 11647819
N-[3-(2-aminoquinazolin-6-yl)-4-methoxyphenyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 58829224
4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-3-[2-[4-(3-piperidin-1-ylpropoxy)anilino]quinazolin-6-yl]benzamide
CID 58829524
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[4-(3-piperidin-1-ylpropoxy)anilino]quinazolin-6-yl]benzamide
CID 58829627
2-fluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58829805
N-[3-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-4-methyl-3-[2-(methylamino)quinazolin-6-yl]benzamide
CID 58829850
3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methyl-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]benzamide
CID 58830010
6-(3-fluorophenyl)-N-[1-(6-methoxyquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 67268129
3-[3-[2-[4-[[4-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]piperidin-1-yl]methoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 71147569
N-[(4-fluorophenyl)methyl]-2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71180489

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide?
The IUPAC name of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide (CID 158619690) is N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide.
What is the SMILES notation for N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide?
The canonical SMILES for N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide is CCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.COc1ccc(Nc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(C)c4)cc23)cc1.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CCCC4)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(Nc4ccc(C(N)=O)cc4)c3c2)ccc1F.
What is the InChIKey of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide?
The InChIKey is HXVMVHKLUJQCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5O.C27H21FN4O.C25H23FN4.C24H23FN4.C23H19FN4.C23H21FN4/c1-16-13-19(6-10-23(16)28)25-21(3-2-12-30-25)18-7-11-24-22(14-18)27(32-15-31-24)33-20-8-4-17(5-9-20)26(29)34;1-17-14-19(5-11-24(17)28)26-22(4-3-13-29-26)18-6-12-25-23(15-18)27(31-16-30-25)32-20-7-9-21(33-2)10-8-20;1-16-13-18(8-10-22(16)26)24-20(7-4-12-27-24)17-9-11-23-21(14-17)25(29-15-28-23)30-19-5-2-3-6-19;1-3-4-11-27-24-20-14-17(8-10-22(20)28-15-29-24)19-6-5-12-26-23(19)18-7-9-21(25)16(2)13-18;1-14-11-16(4-8-20(14)24)22-18(3-2-10-25-22)15-5-9-21-19(12-15)23(27-13-26-21)28-17-6-7-17;1-3-10-26-23-19-13-16(7-9-21(19)27-14-28-23)18-5-4-11-25-22(18)17-6-8-20(24)15(2)12-17/h2-15H,1H3,(H2,29,34)(H,31,32,33);3-16H,1-2H3,(H,30,31,32);4,7-15,19H,2-3,5-6H2,1H3,(H,28,29,30);5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28).
What are the key properties of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide?
N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide has a molecular weight of 2413.82 g/mol, XLogP of 35.40, 29 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopentyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(4-methoxyphenyl)quinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine;4-[[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 158619690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).