2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine

C100H80F6N26O3 — CID 162098145

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(=O)c1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(CO)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(Oc4ccccc4)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H19N5O.C20H13F6N5.C20H17N5O.C19H17N5O.C17H14N6/c1-16-14-22(29-28-16)26-24-20-12-5-6-13-21(20)25-23(27-24)17-8-7-11-19(15-17)30-18-9-3-2-4-10-18;1-10-6-16(31-30-10)28-18-14-4-2-3-5-15(14)27-17(29-18)11-7-12(19(21,22)23)9-13(8-11)20(24,25)26;1-12-10-18(25-24-12)22-20-16-8-3-4-9-17(16)21-19(23-20)15-7-5-6-14(11-15)13(2)26;1-12-9-17(24-23-12)21-19-15-7-2-3-8-16(15)20-18(22-19)14-6-4-5-13(10-14)11-25;1-11-9-15(23-22-11)20-17-13-6-2-3-7-14(13)19-16(21-17)12-5-4-8-18-10-12/h2-15H,1H3,(H2,25,26,27,28,29);2-9H,1H3,(H2,27,28,29,30,31);3-11H,1-2H3,(H2,21,22,23,24,25);2-10,25H,11H2,1H3,(H2,20,21,22,23,24);2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyZENILTZWFFXWNL-UHFFFAOYSA-N
MW1807.91 g/mol
LogP23.28
Rot. Bonds19

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine

2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 162098145) has the molecular formula C100H80F6N26O3 and a molecular weight of 1807.91 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID162098145
Molecular FormulaC100H80F6N26O3
Molecular Weight1807.91 g/mol
Exact Mass1806.68
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCC(=O)c1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(CO)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(Oc4ccccc4)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H19N5O.C20H13F6N5.C20H17N5O.C19H17N5O.C17H14N6/c1-16-14-22(29-28-16)26-24-20-12-5-6-13-21(20)25-23(27-24)17-8-7-11-19(15-17)30-18-9-3-2-4-10-18;1-10-6-16(31-30-10)28-18-14-4-2-3-5-15(14)27-17(29-18)11-7-12(19(21,22)23)9-13(8-11)20(24,25)26;1-12-10-18(25-24-12)22-20-16-8-3-4-9-17(16)21-19(23-20)15-7-5-6-14(11-15)13(2)26;1-12-9-17(24-23-12)21-19-15-7-2-3-8-16(15)20-18(22-19)14-6-4-5-13(10-14)11-25;1-11-9-15(23-22-11)20-17-13-6-2-3-7-14(13)19-16(21-17)12-5-4-8-18-10-12/h2-15H,1H3,(H2,25,26,27,28,29);2-9H,1H3,(H2,27,28,29,30,31);3-11H,1-2H3,(H2,21,22,23,24,25);2-10,25H,11H2,1H3,(H2,20,21,22,23,24);2-10H,1H3,(H2,19,20,21,22,23)
InChIKeyZENILTZWFFXWNL-UHFFFAOYSA-N
XLogP23.28
TPSA391.87 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.91
LogP ≤ 523.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 162098145) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine is CC(=O)c1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)c1.Cc1cc(Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(CO)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccc(Oc4ccccc4)c3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ZENILTZWFFXWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O.C20H13F6N5.C20H17N5O.C19H17N5O.C17H14N6/c1-16-14-22(29-28-16)26-24-20-12-5-6-13-21(20)25-23(27-24)17-8-7-11-19(15-17)30-18-9-3-2-4-10-18;1-10-6-16(31-30-10)28-18-14-4-2-3-5-15(14)27-17(29-18)11-7-12(19(21,22)23)9-13(8-11)20(24,25)26;1-12-10-18(25-24-12)22-20-16-8-3-4-9-17(16)21-19(23-20)15-7-5-6-14(11-15)13(2)26;1-12-9-17(24-23-12)21-19-15-7-2-3-8-16(15)20-18(22-19)14-6-4-5-13(10-14)11-25;1-11-9-15(23-22-11)20-17-13-6-2-3-7-14(13)19-16(21-17)12-5-4-8-18-10-12/h2-15H,1H3,(H2,25,26,27,28,29);2-9H,1H3,(H2,27,28,29,30,31);3-11H,1-2H3,(H2,21,22,23,24,25);2-10,25H,11H2,1H3,(H2,20,21,22,23,24);2-10H,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 1807.91 g/mol, XLogP of 23.28, 19 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;1-[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]ethanone;[3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]methanol;N-(5-methyl-1H-pyrazol-3-yl)-2-(3-phenoxyphenyl)quinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 162098145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).