8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

C13H14N2O — CID 82471113

IUPAC8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESCOc1ccc2nc3c(cc2c1)CNCC3
InChIInChI=1S/C13H14N2O/c1-16-11-2-3-12-9(7-11)6-10-8-14-5-4-13(10)15-12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyKACFEGPLZFAICO-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.89
Rot. Bonds1

About 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (PubChem CID 82471113) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
PubChem CID82471113
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESCOc1ccc2nc3c(cc2c1)CNCC3
InChIInChI=1S/C13H14N2O/c1-16-11-2-3-12-9(7-11)6-10-8-14-5-4-13(10)15-12/h2-3,6-7,14H,4-5,8H2,1H3
InChIKeyKACFEGPLZFAICO-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
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2-N,3-N,3-N-tris[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-1,6-naphthyridine-2,3-diamine
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2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
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1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
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4-phenyl-N-(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-8-yl)benzamide
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1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The IUPAC name of 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (CID 82471113) is 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.
What is the SMILES notation for 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The canonical SMILES for 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is COc1ccc2nc3c(cc2c1)CNCC3.
What is the InChIKey of 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The InChIKey is KACFEGPLZFAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-16-11-2-3-12-9(7-11)6-10-8-14-5-4-13(10)15-12/h2-3,6-7,14H,4-5,8H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine has a molecular weight of 214.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is sourced from PubChem (CID 82471113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).