1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

C26H27N5O — CID 133326352

IUPAC1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNc2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C26H27N5O/c32-22-11-15-31(16-12-22)18-21-6-2-1-5-20(21)17-28-26-23-7-3-4-8-24(23)29-25(30-26)19-9-13-27-14-10-19/h1-10,13-14,22,32H,11-12,15-18H2,(H,28,29,30)
InChIKeyILKKWOSKBHCGJU-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.26
Rot. Bonds6

About 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 133326352) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID133326352
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccccc2CNc2nc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C26H27N5O/c32-22-11-15-31(16-12-22)18-21-6-2-1-5-20(21)17-28-26-23-7-3-4-8-24(23)29-25(30-26)19-9-13-27-14-10-19/h1-10,13-14,22,32H,11-12,15-18H2,(H,28,29,30)
InChIKeyILKKWOSKBHCGJU-UHFFFAOYSA-N
XLogP4.26
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 133385462
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
1-[3-[[(2-phenylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286261
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24685608
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-2-pyridin-4-ylquinazolin-4-amine
CID 31581585
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
2-pyridin-3-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinazolin-4-amine
CID 55986721
1-[3-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 133286263

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (CID 133326352) is 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccccc2CNc2nc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is ILKKWOSKBHCGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-22-11-15-31(16-12-22)18-21-6-2-1-5-20(21)17-28-26-23-7-3-4-8-24(23)29-25(30-26)19-9-13-27-14-10-19/h1-10,13-14,22,32H,11-12,15-18H2,(H,28,29,30).
What are the key properties of 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 425.54 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 133326352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).