6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

C18H22N2 — CID 3058708

IUPAC6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1cccc(CN2CCc3ncccc3C2)c1
InChIInChI=1S/C18H22N2/c1-14(2)16-6-3-5-15(11-16)12-20-10-8-18-17(13-20)7-4-9-19-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3
InChIKeyGMQOJTAZKSHBHM-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.76
Rot. Bonds3

About 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058708) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058708
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1cccc(CN2CCc3ncccc3C2)c1
InChIInChI=1S/C18H22N2/c1-14(2)16-6-3-5-15(11-16)12-20-10-8-18-17(13-20)7-4-9-19-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3
InChIKeyGMQOJTAZKSHBHM-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-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 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 3058708) is 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is CC(C)c1cccc(CN2CCc3ncccc3C2)c1.
What is the InChIKey of 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is GMQOJTAZKSHBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(2)16-6-3-5-15(11-16)12-20-10-8-18-17(13-20)7-4-9-19-18/h3-7,9,11,14H,8,10,12-13H2,1-2H3.
What are the key properties of 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 266.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).