4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine

C9H12N2O — CID 84716986

IUPAC4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCOc1ccnc2c1CNCC2
InChIInChI=1S/C9H12N2O/c1-12-9-3-5-11-8-2-4-10-6-7(8)9/h3,5,10H,2,4,6H2,1H3
InChIKeyOXIXTDMJBNBMPS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.74
Rot. Bonds1

About 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine

4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 84716986) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID84716986
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCOc1ccnc2c1CNCC2
InChIInChI=1S/C9H12N2O/c1-12-9-3-5-11-8-2-4-10-6-7(8)9/h3,5,10H,2,4,6H2,1H3
InChIKeyOXIXTDMJBNBMPS-UHFFFAOYSA-N
XLogP0.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 84716986) is 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine is COc1ccnc2c1CNCC2.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is OXIXTDMJBNBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-3-5-11-8-2-4-10-6-7(8)9/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 164.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 84716986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).