2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

C19H18N2 — CID 3845246

IUPAC2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESc1ccc(CN2CCc3nc4ccccc4cc3C2)cc1
InChIInChI=1S/C19H18N2/c1-2-6-15(7-3-1)13-21-11-10-19-17(14-21)12-16-8-4-5-9-18(16)20-19/h1-9,12H,10-11,13-14H2
InChIKeyBIGIFNAKNRWTPE-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.79
Rot. Bonds2

About 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (PubChem CID 3845246) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
PubChem CID3845246
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESc1ccc(CN2CCc3nc4ccccc4cc3C2)cc1
InChIInChI=1S/C19H18N2/c1-2-6-15(7-3-1)13-21-11-10-19-17(14-21)12-16-8-4-5-9-18(16)20-19/h1-9,12H,10-11,13-14H2
InChIKeyBIGIFNAKNRWTPE-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The IUPAC name of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (CID 3845246) is 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The canonical SMILES for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is c1ccc(CN2CCc3nc4ccccc4cc3C2)cc1.
What is the InChIKey of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The InChIKey is BIGIFNAKNRWTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-2-6-15(7-3-1)13-21-11-10-19-17(14-21)12-16-8-4-5-9-18(16)20-19/h1-9,12H,10-11,13-14H2.
What are the key properties of 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine has a molecular weight of 274.37 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is sourced from PubChem (CID 3845246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).