2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine

C22H23N7 — CID 135397877

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)CC1
InChIInChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)22-23-18-10-6-5-9-17(18)21(25-22)24-20-15-19(26-27-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyIGYFMPCMPFEMPU-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.52
Rot. Bonds4

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

2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 135397877) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID135397877
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCN1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)CC1
InChIInChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)22-23-18-10-6-5-9-17(18)21(25-22)24-20-15-19(26-27-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26,27)
InChIKeyIGYFMPCMPFEMPU-UHFFFAOYSA-N
XLogP3.52
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 135397877) is 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine is CN1CCN(c2nc(Nc3cc(-c4ccccc4)[nH]n3)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is IGYFMPCMPFEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-11-13-29(14-12-28)22-23-18-10-6-5-9-17(18)21(25-22)24-20-15-19(26-27-20)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 385.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 135397877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).