N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine

C138H124ClF5N24O — CID 157199051

IUPACN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.CCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCN(CC)c1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C24H23FN4.C23H19FN4.2C23H21FN4.C23H22N4O.C22H18ClFN4/c1-3-4-11-27-24-20-14-17(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;1-14(2)28-23-19-12-16(7-9-21(19)26-13-27-23)18-5-4-10-25-22(18)17-6-8-20(24)15(3)11-17;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;1-3-27(4-2)23-20-14-16(10-11-21(20)25-15-26-23)19-9-6-12-24-22(19)17-7-5-8-18(28)13-17;1-13(2)28-22-17-10-14(6-8-20(17)26-12-27-22)16-4-3-9-25-21(16)15-5-7-19(24)18(23)11-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-14H,1-3H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28);5-15,28H,3-4H2,1-2H3;3-13H,1-2H3,(H,26,27,28)
InChIKeyAQOXJUMFEFKEBY-UHFFFAOYSA-N
MW2265.12 g/mol
LogP33.54
Rot. Bonds28

About N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine

N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine (PubChem CID 157199051) has the molecular formula C138H124ClF5N24O and a molecular weight of 2265.12 g/mol. Its IUPAC name is N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine.

Molecular Properties

Compound NameN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine
PubChem CID157199051
Molecular FormulaC138H124ClF5N24O
Molecular Weight2265.12 g/mol
Exact Mass2263.00
IUPAC NameN-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine
SMILESCC(C)Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.CCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCN(CC)c1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F
InChIInChI=1S/C24H23FN4.C23H19FN4.2C23H21FN4.C23H22N4O.C22H18ClFN4/c1-3-4-11-27-24-20-14-17(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;1-14(2)28-23-19-12-16(7-9-21(19)26-13-27-23)18-5-4-10-25-22(18)17-6-8-20(24)15(3)11-17;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;1-3-27(4-2)23-20-14-16(10-11-21(20)25-15-26-23)19-9-6-12-24-22(19)17-7-5-8-18(28)13-17;1-13(2)28-22-17-10-14(6-8-20(17)26-12-27-22)16-4-3-9-25-21(16)15-5-7-19(24)18(23)11-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-14H,1-3H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28);5-15,28H,3-4H2,1-2H3;3-13H,1-2H3,(H,26,27,28)
InChIKeyAQOXJUMFEFKEBY-UHFFFAOYSA-N
XLogP33.54
TPSA315.64 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002265.12
LogP ≤ 533.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

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;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]methyl]phenol
CID 118916104
4-[4-([6-[Bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino)piperidin-1-yl]phenol
CID 118916162
4-[4-[[6-(3-Aminopiperidin-1-yl)-3-pyridinyl]amino]-3-propylquinolin-6-yl]-2-chloro-6-fluorophenol
CID 66715657
4-[3-Butyl-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-6-yl]-2-chloro-6-fluorophenol
CID 66715721
2-Chloro-6-fluoro-4-[3-(2-methylpropyl)-4-[(6-piperazin-1-yl-3-pyridinyl)amino]quinolin-6-yl]phenol
CID 68298777
N-[(3-chloro-4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180683
3-[4-Amino-6-[(2-chloroquinolin-3-yl)methylamino]pyrimidine-5-carboximidoyl]-5-fluorophenol
CID 91462781
5-[3-(4-Aminoquinazolin-6-yl)-2-pyridinyl]-4-chloro-2-fluorophenol
CID 118437793
2-Chloro-4-[3-ethyl-4-[[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]amino]quinolin-6-yl]-6-fluorophenol
CID 118658928
2-Chloro-4-[3-(cyclopropylmethyl)-4-[(2-piperazin-1-ylpyrimidin-5-yl)amino]quinolin-6-yl]-6-fluorophenol
CID 118658974
4-[4-[[6-(3-Aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
CID 123507771
3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-2-methylquinolin-4-yl]amino]ethyl]-4-fluorophenol
CID 126531223

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine?
The IUPAC name of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine (CID 157199051) is N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine.
What is the SMILES notation for N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine?
The canonical SMILES for N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine is CC(C)Nc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.CCCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCCNc1ncnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.CCN(CC)c1ncnc2ccc(-c3cccnc3-c3cccc(O)c3)cc12.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC(C)C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncnc(NC4CC4)c3c2)ccc1F.
What is the InChIKey of N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine?
The InChIKey is AQOXJUMFEFKEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4.C23H19FN4.2C23H21FN4.C23H22N4O.C22H18ClFN4/c1-3-4-11-27-24-20-14-17(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;1-14(2)28-23-19-12-16(7-9-21(19)26-13-27-23)18-5-4-10-25-22(18)17-6-8-20(24)15(3)11-17;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;1-3-27(4-2)23-20-14-16(10-11-21(20)25-15-26-23)19-9-6-12-24-22(19)17-7-5-8-18(28)13-17;1-13(2)28-22-17-10-14(6-8-20(17)26-12-27-22)16-4-3-9-25-21(16)15-5-7-19(24)18(23)11-15/h5-10,12-15H,3-4,11H2,1-2H3,(H,27,28,29);2-5,8-13,17H,6-7H2,1H3,(H,26,27,28);4-14H,1-3H3,(H,26,27,28);4-9,11-14H,3,10H2,1-2H3,(H,26,27,28);5-15,28H,3-4H2,1-2H3;3-13H,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;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine?
N-butyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine has a molecular weight of 2265.12 g/mol, XLogP of 33.54, 28 rotatable bonds, 6 hydrogen bond donors, and 25 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;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;3-[3-[4-(diethylamino)quinazolin-6-yl]-2-pyridinyl]phenol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propan-2-ylquinazolin-4-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-propylquinazolin-4-amine is sourced from PubChem (CID 157199051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).