3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

C23H24ClN3O — CID 2353937

IUPAC3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESClc1cc2c(c3ncccc13)OCN(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C23H24ClN3O/c24-21-13-18-15-27(16-28-23(18)22-20(21)7-4-10-25-22)19-8-11-26(12-9-19)14-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,14-16H2
InChIKeyKPNWKIIKTVJHDR-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.70
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (PubChem CID 2353937) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
PubChem CID2353937
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
SMILESClc1cc2c(c3ncccc13)OCN(C1CCN(Cc3ccccc3)CC1)C2
InChIInChI=1S/C23H24ClN3O/c24-21-13-18-15-27(16-28-23(18)22-20(21)7-4-10-25-22)19-8-11-26(12-9-19)14-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,14-16H2
InChIKeyKPNWKIIKTVJHDR-UHFFFAOYSA-N
XLogP4.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine 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 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine (CID 2353937) is 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is Clc1cc2c(c3ncccc13)OCN(C1CCN(Cc3ccccc3)CC1)C2.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
The InChIKey is KPNWKIIKTVJHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-21-13-18-15-27(16-28-23(18)22-20(21)7-4-10-25-22)19-8-11-26(12-9-19)14-17-5-2-1-3-6-17/h1-7,10,13,19H,8-9,11-12,14-16H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine?
3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine has a molecular weight of 393.92 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydropyrido[3,2-h][1,3]benzoxazine is sourced from PubChem (CID 2353937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).