6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine

C119H85Cl2F7N24 — CID 159891044

IUPAC6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1c(Cl)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1c(F)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1F.Cc1cc(F)ccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1ccc(F)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(F)c(F)c3)cc12
InChIInChI=1S/C20H14ClFN4.C20H15ClN4.3C20H15FN4.C19H11F3N4/c1-11-7-13(21)9-16(18(11)22)19-14(3-2-6-24-19)12-4-5-17-15(8-12)20(23)26-10-25-17;2*1-12-14(4-2-6-17(12)21)19-15(5-3-9-23-19)13-7-8-18-16(10-13)20(22)25-11-24-18;1-12-9-14(21)5-6-15(12)19-16(3-2-8-23-19)13-4-7-18-17(10-13)20(22)25-11-24-18;1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18;20-14-7-11(8-15(21)17(14)22)18-12(2-1-5-24-18)10-3-4-16-13(6-10)19(23)26-9-25-16/h2-10H,1H3,(H2,23,25,26);4*2-11H,1H3,(H2,22,24,25);1-9H,(H2,23,25,26)
InChIKeyNUTGNPMWIZRYSU-UHFFFAOYSA-N
MW2055.05 g/mol
LogP27.47
Rot. Bonds12

About 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 159891044) has the molecular formula C119H85Cl2F7N24 and a molecular weight of 2055.05 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID159891044
Molecular FormulaC119H85Cl2F7N24
Molecular Weight2055.05 g/mol
Exact Mass2052.67
IUPAC Name6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1c(Cl)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1c(F)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1F.Cc1cc(F)ccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1ccc(F)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(F)c(F)c3)cc12
InChIInChI=1S/C20H14ClFN4.C20H15ClN4.3C20H15FN4.C19H11F3N4/c1-11-7-13(21)9-16(18(11)22)19-14(3-2-6-24-19)12-4-5-17-15(8-12)20(23)26-10-25-17;2*1-12-14(4-2-6-17(12)21)19-15(5-3-9-23-19)13-7-8-18-16(10-13)20(22)25-11-24-18;1-12-9-14(21)5-6-15(12)19-16(3-2-8-23-19)13-4-7-18-17(10-13)20(22)25-11-24-18;1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18;20-14-7-11(8-15(21)17(14)22)18-12(2-1-5-24-18)10-3-4-16-13(6-10)19(23)26-9-25-16/h2-10H,1H3,(H2,23,25,26);4*2-11H,1H3,(H2,22,24,25);1-9H,(H2,23,25,26)
InChIKeyNUTGNPMWIZRYSU-UHFFFAOYSA-N
XLogP27.47
TPSA388.14 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.05
LogP ≤ 527.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

Aminoquinazoline, 18
CID 24863671
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3234184
6-[bis(4-chlorophenyl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916049
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]quinazolin-4-amine
CID 118916205
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916235
6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 44142056
N-[4-(2-chloro-4-fluorophenyl)-3-fluorophenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789669
6-(2-aminopyrimidin-5-yl)-N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 121427581
6-(3-chlorophenyl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 72703927
6-[bis(4-chlorophenyl)methyl]-N-[1-(pyridin-2-yl)piperidin-4-yl]quinazolin-4-amine
CID 118916190
6-(2-aminopyrimidin-5-yl)-N-(3-chloro-2-fluorophenyl)quinazolin-4-amine
CID 171341590
N-(3-chloro-4-fluorophenyl)-6-pyridin-3-ylquinazolin-4-amine
CID 22478370

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine (CID 159891044) is 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine is Cc1c(Cl)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1c(F)cccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(Cl)cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1F.Cc1cc(F)ccc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1ccc(F)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(F)c(F)c(F)c3)cc12.
What is the InChIKey of 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is NUTGNPMWIZRYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4.C20H15ClN4.3C20H15FN4.C19H11F3N4/c1-11-7-13(21)9-16(18(11)22)19-14(3-2-6-24-19)12-4-5-17-15(8-12)20(23)26-10-25-17;2*1-12-14(4-2-6-17(12)21)19-15(5-3-9-23-19)13-7-8-18-16(10-13)20(22)25-11-24-18;1-12-9-14(21)5-6-15(12)19-16(3-2-8-23-19)13-4-7-18-17(10-13)20(22)25-11-24-18;1-12-4-6-14(21)10-16(12)19-15(3-2-8-23-19)13-5-7-18-17(9-13)20(22)25-11-24-18;20-14-7-11(8-15(21)17(14)22)18-12(2-1-5-24-18)10-3-4-16-13(6-10)19(23)26-9-25-16/h2-10H,1H3,(H2,23,25,26);4*2-11H,1H3,(H2,22,24,25);1-9H,(H2,23,25,26).
What are the key properties of 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 2055.05 g/mol, XLogP of 27.47, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(4-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(5-fluoro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 159891044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).