6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine

C9H12N2O — CID 59164394

IUPAC6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CNCC2
InChIInChI=1S/C9H12N2O/c1-12-9-4-7-2-3-10-5-8(7)6-11-9/h4,6,10H,2-3,5H2,1H3
InChIKeyDHNFTRJYDIMRHS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.74
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine

6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine (PubChem CID 59164394) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine
PubChem CID59164394
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine
SMILESCOc1cc2c(cn1)CNCC2
InChIInChI=1S/C9H12N2O/c1-12-9-4-7-2-3-10-5-8(7)6-11-9/h4,6,10H,2-3,5H2,1H3
InChIKeyDHNFTRJYDIMRHS-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 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine (CID 59164394) is 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine is COc1cc2c(cn1)CNCC2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine?
The InChIKey is DHNFTRJYDIMRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-9-4-7-2-3-10-5-8(7)6-11-9/h4,6,10H,2-3,5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine?
6-methoxy-1,2,3,4-tetrahydro-2,7-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 6-methoxy-1,2,3,4-tetrahydro-2,7-naphthyridine is sourced from PubChem (CID 59164394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).