N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

C29H33N7 — CID 71571139

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-34-16-13-24(14-17-34)31-28-25-10-4-5-11-26(25)32-29(33-28)36-20-18-35(19-21-36)27-12-6-7-15-30-27/h1-12,15,24H,13-14,16-22H2,(H,31,32,33)
InChIKeyGPCDNPLKMVDGFC-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.43
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 71571139) has the molecular formula C29H33N7 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
PubChem CID71571139
Molecular FormulaC29H33N7
Molecular Weight479.63 g/mol
Exact Mass479.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-34-16-13-24(14-17-34)31-28-25-10-4-5-11-26(25)32-29(33-28)36-20-18-35(19-21-36)27-12-6-7-15-30-27/h1-12,15,24H,13-14,16-22H2,(H,31,32,33)
InChIKeyGPCDNPLKMVDGFC-UHFFFAOYSA-N
XLogP4.43
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine (CID 71571139) is N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is c1ccc(CN2CCC(Nc3nc(N4CCN(c5ccccn5)CC4)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is GPCDNPLKMVDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-34-16-13-24(14-17-34)31-28-25-10-4-5-11-26(25)32-29(33-28)36-20-18-35(19-21-36)27-12-6-7-15-30-27/h1-12,15,24H,13-14,16-22H2,(H,31,32,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 479.63 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71571139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).