6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

C18H22N2 — CID 3058709

IUPAC6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1ccc(CN2CCc3ncccc3C2)cc1
InChIInChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)12-20-11-9-18-17(13-20)4-3-10-19-18/h3-8,10,14H,9,11-13H2,1-2H3
InChIKeyAVHWVEQELMWJJI-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.76
Rot. Bonds3

About 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3058709) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3058709
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCC(C)c1ccc(CN2CCc3ncccc3C2)cc1
InChIInChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)12-20-11-9-18-17(13-20)4-3-10-19-18/h3-8,10,14H,9,11-13H2,1-2H3
InChIKeyAVHWVEQELMWJJI-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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 3058709) is 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is CC(C)c1ccc(CN2CCc3ncccc3C2)cc1.
What is the InChIKey of 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is AVHWVEQELMWJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(2)16-7-5-15(6-8-16)12-20-11-9-18-17(13-20)4-3-10-19-18/h3-8,10,14H,9,11-13H2,1-2H3.
What are the key properties of 6-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[(4-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-[(4-propan-2-ylphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3058709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).