2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride

C8H11ClN2O — CID 122164536

IUPAC2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride
SMILESCl.O=c1[nH]ccc2c1NCCC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-7-6(3-5-10-8)2-1-4-9-7;/h3,5,9H,1-2,4H2,(H,10,11);1H
InChIKeyIQWCJIFZECOLNY-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.15
Rot. Bonds

About 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride

2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride (PubChem CID 122164536) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride
PubChem CID122164536
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride
SMILESCl.O=c1[nH]ccc2c1NCCC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-7-6(3-5-10-8)2-1-4-9-7;/h3,5,9H,1-2,4H2,(H,10,11);1H
InChIKeyIQWCJIFZECOLNY-UHFFFAOYSA-N
XLogP1.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride?
The IUPAC name of 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride (CID 122164536) is 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride is Cl.O=c1[nH]ccc2c1NCCC2.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride?
The InChIKey is IQWCJIFZECOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c11-8-7-6(3-5-10-8)2-1-4-9-7;/h3,5,9H,1-2,4H2,(H,10,11);1H.
What are the key properties of 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride?
2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1H-1,7-naphthyridin-8-one;hydrochloride is sourced from PubChem (CID 122164536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).