N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine

C22H28N6 — CID 69016844

IUPACN-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine
SMILESCC(C)CCNc1ncnc2ccc(-c3ccnc(N4CCNCC4)c3)cc12
InChIInChI=1S/C22H28N6/c1-16(2)5-7-25-22-19-13-17(3-4-20(19)26-15-27-22)18-6-8-24-21(14-18)28-11-9-23-10-12-28/h3-4,6,8,13-16,23H,5,7,9-12H2,1-2H3,(H,25,26,27)
InChIKeyQXVFXTYROIXKLN-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.56
Rot. Bonds6

About N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine

N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine (PubChem CID 69016844) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine
PubChem CID69016844
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine
SMILESCC(C)CCNc1ncnc2ccc(-c3ccnc(N4CCNCC4)c3)cc12
InChIInChI=1S/C22H28N6/c1-16(2)5-7-25-22-19-13-17(3-4-20(19)26-15-27-22)18-6-8-24-21(14-18)28-11-9-23-10-12-28/h3-4,6,8,13-16,23H,5,7,9-12H2,1-2H3,(H,25,26,27)
InChIKeyQXVFXTYROIXKLN-UHFFFAOYSA-N
XLogP3.56
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine (CID 69016844) is N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine is CC(C)CCNc1ncnc2ccc(-c3ccnc(N4CCNCC4)c3)cc12.
What is the InChIKey of N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine?
The InChIKey is QXVFXTYROIXKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-16(2)5-7-25-22-19-13-17(3-4-20(19)26-15-27-22)18-6-8-24-21(14-18)28-11-9-23-10-12-28/h3-4,6,8,13-16,23H,5,7,9-12H2,1-2H3,(H,25,26,27).
What are the key properties of N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine?
N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine has a molecular weight of 376.51 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-(2-piperazin-1-yl-4-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 69016844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).