8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride

C14H17ClN2O3 — CID 22611132

IUPAC8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride
SMILESCOc1cc2[nH]c(=O)c3c(c2cc1OC)CCNC3.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-18-12-5-9-8-3-4-15-7-10(8)14(17)16-11(9)6-13(12)19-2;/h5-6,15H,3-4,7H2,1-2H3,(H,16,17);1H
InChIKeyJJOHEULYBCSVLL-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.61
Rot. Bonds2

About 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride

8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride (PubChem CID 22611132) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride.

Molecular Properties

Compound Name8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride
PubChem CID22611132
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride
SMILESCOc1cc2[nH]c(=O)c3c(c2cc1OC)CCNC3.Cl
InChIInChI=1S/C14H16N2O3.ClH/c1-18-12-5-9-8-3-4-15-7-10(8)14(17)16-11(9)6-13(12)19-2;/h5-6,15H,3-4,7H2,1-2H3,(H,16,17);1H
InChIKeyJJOHEULYBCSVLL-UHFFFAOYSA-N
XLogP1.61
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride?
The IUPAC name of 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride (CID 22611132) is 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride.
What is the SMILES notation for 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride?
The canonical SMILES for 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride is COc1cc2[nH]c(=O)c3c(c2cc1OC)CCNC3.Cl.
What is the InChIKey of 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride?
The InChIKey is JJOHEULYBCSVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.ClH/c1-18-12-5-9-8-3-4-15-7-10(8)14(17)16-11(9)6-13(12)19-2;/h5-6,15H,3-4,7H2,1-2H3,(H,16,17);1H.
What are the key properties of 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride?
8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2,3,4,6-tetrahydro-1H-benzo[c][2,7]naphthyridin-5-one;hydrochloride is sourced from PubChem (CID 22611132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).