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Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

C72H67N21 — CID 159623271

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H16N6.3C12H11N5.3C6H6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;3*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;3*1-2-4-6-5-3-1/h2-11H,1H3,(H3,19,20,21,22,23,24);3*2-7H,1H3,(H2,13,14,15,16,17);3*1-6H
InChIKeyMODXPTYLBXXXPT-UHFFFAOYSA-N
MW1226.48 g/mol
LogP16.42
Rot. Bonds10

About Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)

Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (PubChem CID 159623271) has the molecular formula C72H67N21 and a molecular weight of 1226.48 g/mol. Its IUPAC name is benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).

Molecular Properties

Compound NameBenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
PubChem CID159623271
Molecular FormulaC72H67N21
Molecular Weight1226.48 g/mol
Exact Mass1225.59
IUPAC Namebenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)
SMILESCc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C18H16N6.3C12H11N5.3C6H6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;3*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;3*1-2-4-6-5-3-1/h2-11H,1H3,(H3,19,20,21,22,23,24);3*2-7H,1H3,(H2,13,14,15,16,17);3*1-6H
InChIKeyMODXPTYLBXXXPT-UHFFFAOYSA-N
XLogP16.42
TPSA277.99 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001226.48
LogP ≤ 516.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The IUPAC name of Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) (CID 159623271) is benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine).
What is the SMILES notation for Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The canonical SMILES for Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is Cc1cc(Nc2nc(Nc3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.Cc1cc(Nc2ncnc3ccccc23)n[nH]1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
The InChIKey is MODXPTYLBXXXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6.3C12H11N5.3C6H6/c1-12-11-16(24-23-12)21-17-14-9-5-6-10-15(14)20-18(22-17)19-13-7-3-2-4-8-13;3*1-8-6-11(17-16-8)15-12-9-4-2-3-5-10(9)13-7-14-12;3*1-2-4-6-5-3-1/h2-11H,1H3,(H3,19,20,21,22,23,24);3*2-7H,1H3,(H2,13,14,15,16,17);3*1-6H.
What are the key properties of Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine)?
Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) has a molecular weight of 1226.48 g/mol, XLogP of 16.42, 10 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for Benzene;4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine;tris(N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine) is sourced from PubChem (CID 159623271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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