6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine

C16H18N2 — CID 3059175

IUPAC6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(CCN2CCc3ncccc3C2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-14(6-3-1)8-11-18-12-9-16-15(13-18)7-4-10-17-16/h1-7,10H,8-9,11-13H2
InChIKeyDQRHPZFUHJETIA-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds3

About 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine

6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 3059175) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID3059175
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(CCN2CCc3ncccc3C2)cc1
InChIInChI=1S/C16H18N2/c1-2-5-14(6-3-1)8-11-18-12-9-16-15(13-18)7-4-10-17-16/h1-7,10H,8-9,11-13H2
InChIKeyDQRHPZFUHJETIA-UHFFFAOYSA-N
XLogP2.68
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 3059175) is 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine is c1ccc(CCN2CCc3ncccc3C2)cc1.
What is the InChIKey of 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is DQRHPZFUHJETIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-14(6-3-1)8-11-18-12-9-16-15(13-18)7-4-10-17-16/h1-7,10H,8-9,11-13H2.
What are the key properties of 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 238.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 3059175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).