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

C21H23ClN4O — CID 154488216

IUPAC[1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H23ClN4O/c22-16-10-8-15(9-11-16)13-23-20-18-6-1-2-7-19(18)24-21(25-20)26-12-4-3-5-17(26)14-27/h1-2,6-11,17,27H,3-5,12-14H2,(H,23,24,25)
InChIKeyIWGXPTQVGYHZAW-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.25
Rot. Bonds5

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

[1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol (PubChem CID 154488216) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
PubChem CID154488216
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name[1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C21H23ClN4O/c22-16-10-8-15(9-11-16)13-23-20-18-6-1-2-7-19(18)24-21(25-20)26-12-4-3-5-17(26)14-27/h1-2,6-11,17,27H,3-5,12-14H2,(H,23,24,25)
InChIKeyIWGXPTQVGYHZAW-UHFFFAOYSA-N
XLogP4.25
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol (CID 154488216) is [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol is OCC1CCCCN1c1nc(NCc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
The InChIKey is IWGXPTQVGYHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-16-10-8-15(9-11-16)13-23-20-18-6-1-2-7-19(18)24-21(25-20)26-12-4-3-5-17(26)14-27/h1-2,6-11,17,27H,3-5,12-14H2,(H,23,24,25).
What are the key properties of [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol?
[1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol has a molecular weight of 382.90 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4-chlorophenyl)methylamino]quinazolin-2-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 154488216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).