[1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

C22H25ClN4O — CID 154488209

IUPAC[1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-7-5-6-16(14-17)11-12-24-21-19-9-1-2-10-20(19)25-22(26-21)27-13-4-3-8-18(27)15-28/h1-2,5-7,9-10,14,18,28H,3-4,8,11-13,15H2,(H,24,25,26)
InChIKeyMAEPXLLVJNNXSK-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.29
Rot. Bonds6

About [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol

[1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 154488209) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID154488209
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name[1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-7-5-6-16(14-17)11-12-24-21-19-9-1-2-10-20(19)25-22(26-21)27-13-4-3-8-18(27)15-28/h1-2,5-7,9-10,14,18,28H,3-4,8,11-13,15H2,(H,24,25,26)
InChIKeyMAEPXLLVJNNXSK-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

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 154488209) is [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(NCCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is MAEPXLLVJNNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-17-7-5-6-16(14-17)11-12-24-21-19-9-1-2-10-20(19)25-22(26-21)27-13-4-3-8-18(27)15-28/h1-2,5-7,9-10,14,18,28H,3-4,8,11-13,15H2,(H,24,25,26).
What are the key properties of [1-[4-[2-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[2-(3-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-(3-chlorophenyl)ethylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 154488209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).