5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C20H22ClN5O — CID 25003845

IUPAC5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(c4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C20H22ClN5O/c21-14-4-1-2-6-16(14)26-10-8-13(9-11-26)12-27-17-7-3-5-15-18(17)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25)
InChIKeyGJCPQKMRCUWNTA-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.74
Rot. Bonds4

About 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 25003845) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID25003845
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCN(c4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C20H22ClN5O/c21-14-4-1-2-6-16(14)26-10-8-13(9-11-26)12-27-17-7-3-5-15-18(17)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25)
InChIKeyGJCPQKMRCUWNTA-UHFFFAOYSA-N
XLogP3.74
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine 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 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 25003845) is 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCN(c4ccccc4Cl)CC3)cccc2n1.
What is the InChIKey of 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is GJCPQKMRCUWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-14-4-1-2-6-16(14)26-10-8-13(9-11-26)12-27-17-7-3-5-15-18(17)19(22)25-20(23)24-15/h1-7,13H,8-12H2,(H4,22,23,24,25).
What are the key properties of 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 383.88 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25003845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).