3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine

C16H17ClN2 — CID 86690271

IUPAC3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCc1c(Cc2ccccc2)c(Cl)nc2c1CNCC2
InChIInChI=1S/C16H17ClN2/c1-11-13(9-12-5-3-2-4-6-12)16(17)19-15-7-8-18-10-14(11)15/h2-6,18H,7-10H2,1H3
InChIKeyGSHJPPKQMDJNEA-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.28
Rot. Bonds2

About 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine

3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 86690271) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID86690271
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCc1c(Cc2ccccc2)c(Cl)nc2c1CNCC2
InChIInChI=1S/C16H17ClN2/c1-11-13(9-12-5-3-2-4-6-12)16(17)19-15-7-8-18-10-14(11)15/h2-6,18H,7-10H2,1H3
InChIKeyGSHJPPKQMDJNEA-UHFFFAOYSA-N
XLogP3.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine 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-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 86690271) is 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine is Cc1c(Cc2ccccc2)c(Cl)nc2c1CNCC2.
What is the InChIKey of 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is GSHJPPKQMDJNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-11-13(9-12-5-3-2-4-6-12)16(17)19-15-7-8-18-10-14(11)15/h2-6,18H,7-10H2,1H3.
What are the key properties of 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 272.78 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 86690271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).