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

C22H25ClN4O — CID 154488205

IUPAC[1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-10-8-16(9-11-17)12-13-24-21-19-6-1-2-7-20(19)25-22(26-21)27-14-4-3-5-18(27)15-28/h1-2,6-11,18,28H,3-5,12-15H2,(H,24,25,26)
InChIKeyZQTYDLZMXCWEOY-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.29
Rot. Bonds6

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

[1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 154488205) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID154488205
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name[1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-10-8-16(9-11-17)12-13-24-21-19-6-1-2-7-20(19)25-22(26-21)27-14-4-3-5-18(27)15-28/h1-2,6-11,18,28H,3-5,12-15H2,(H,24,25,26)
InChIKeyZQTYDLZMXCWEOY-UHFFFAOYSA-N
XLogP4.29
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 154488205) is [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(NCCc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is ZQTYDLZMXCWEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-17-10-8-16(9-11-17)12-13-24-21-19-6-1-2-7-20(19)25-22(26-21)27-14-4-3-5-18(27)15-28/h1-2,6-11,18,28H,3-5,12-15H2,(H,24,25,26).
What are the key properties of [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 396.92 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-(4-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 154488205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).