2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C23H26N8 — CID 166517363

IUPAC2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3N)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
InChIInChI=1S/C23H26N8/c1-15-13-21(29-28-15)26-23-18-8-7-16(31-11-9-30(2)10-12-31)14-20(18)25-22(27-23)17-5-3-4-6-19(17)24/h3-8,13-14H,9-12,24H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyXCNUHOZLIZTBDF-UHFFFAOYSA-N
MW414.52 g/mol
LogP3.41
Rot. Bonds4

About 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 166517363) has the molecular formula C23H26N8 and a molecular weight of 414.52 g/mol. Its IUPAC name is 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID166517363
Molecular FormulaC23H26N8
Molecular Weight414.52 g/mol
Exact Mass414.23
IUPAC Name2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccccc3N)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
InChIInChI=1S/C23H26N8/c1-15-13-21(29-28-15)26-23-18-8-7-16(31-11-9-30(2)10-12-31)14-20(18)25-22(27-23)17-5-3-4-6-19(17)24/h3-8,13-14H,9-12,24H2,1-2H3,(H2,25,26,27,28,29)
InChIKeyXCNUHOZLIZTBDF-UHFFFAOYSA-N
XLogP3.41
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.52
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 166517363) is 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(-c3ccccc3N)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1.
What is the InChIKey of 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is XCNUHOZLIZTBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8/c1-15-13-21(29-28-15)26-23-18-8-7-16(31-11-9-30(2)10-12-31)14-20(18)25-22(27-23)17-5-3-4-6-19(17)24/h3-8,13-14H,9-12,24H2,1-2H3,(H2,25,26,27,28,29).
What are the key properties of 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 414.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-7-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 166517363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).