[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol

C22H26N4O — CID 137491186

IUPAC[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H26N4O/c27-16-18-10-6-7-15-26(18)22-24-20-12-5-4-11-19(20)21(25-22)23-14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,18,27H,6-7,10,13-16H2,(H,23,24,25)
InChIKeyFWHBMKVZCMNZSJ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.64
Rot. Bonds6

About [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 137491186) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID137491186
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H26N4O/c27-16-18-10-6-7-15-26(18)22-24-20-12-5-4-11-19(20)21(25-22)23-14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,18,27H,6-7,10,13-16H2,(H,23,24,25)
InChIKeyFWHBMKVZCMNZSJ-UHFFFAOYSA-N
XLogP3.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol (CID 137491186) is [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(NCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is FWHBMKVZCMNZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-16-18-10-6-7-15-26(18)22-24-20-12-5-4-11-19(20)21(25-22)23-14-13-17-8-2-1-3-9-17/h1-5,8-9,11-12,18,27H,6-7,10,13-16H2,(H,23,24,25).
What are the key properties of [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 362.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-phenylethylamino)quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 137491186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).