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

C9H13ClN2O — CID 118998955

IUPAC7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESCOc1cc2c(cn1)CCNC2.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-12-9-4-8-5-10-3-2-7(8)6-11-9;/h4,6,10H,2-3,5H2,1H3;1H
InChIKeyJWPCKRLMRAZSOX-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.16
Rot. Bonds1

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

7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (PubChem CID 118998955) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
PubChem CID118998955
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride
SMILESCOc1cc2c(cn1)CCNC2.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-12-9-4-8-5-10-3-2-7(8)6-11-9;/h4,6,10H,2-3,5H2,1H3;1H
InChIKeyJWPCKRLMRAZSOX-UHFFFAOYSA-N
XLogP1.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The IUPAC name of 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride (CID 118998955) is 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride.
What is the SMILES notation for 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The canonical SMILES for 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is COc1cc2c(cn1)CCNC2.Cl.
What is the InChIKey of 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
The InChIKey is JWPCKRLMRAZSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-12-9-4-8-5-10-3-2-7(8)6-11-9;/h4,6,10H,2-3,5H2,1H3;1H.
What are the key properties of 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride?
7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,3,4-tetrahydro-2,6-naphthyridine;hydrochloride is sourced from PubChem (CID 118998955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).