6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide

C18H22BrN2O+ — CID 156819462

IUPAC6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide
SMILESBr.CC.Cn1ccc2c[n+](Cc3ccccc3)ccc2c1=O
InChIInChI=1S/C16H15N2O.C2H6.BrH/c1-17-9-7-14-12-18(10-8-15(14)16(17)19)11-13-5-3-2-4-6-13;1-2;/h2-10,12H,11H2,1H3;1-2H3;1H/q+1;;
InChIKeyFYNAEPVPSIWJJX-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.48
Rot. Bonds2

About 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide

6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide (PubChem CID 156819462) has the molecular formula C18H22BrN2O+ and a molecular weight of 362.29 g/mol. Its IUPAC name is 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide.

Molecular Properties

Compound Name6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide
PubChem CID156819462
Molecular FormulaC18H22BrN2O+
Molecular Weight362.29 g/mol
Exact Mass361.09
IUPAC Name6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide
SMILESBr.CC.Cn1ccc2c[n+](Cc3ccccc3)ccc2c1=O
InChIInChI=1S/C16H15N2O.C2H6.BrH/c1-17-9-7-14-12-18(10-8-15(14)16(17)19)11-13-5-3-2-4-6-13;1-2;/h2-10,12H,11H2,1H3;1-2H3;1H/q+1;;
InChIKeyFYNAEPVPSIWJJX-UHFFFAOYSA-N
XLogP3.48
TPSA25.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-benzylisoquinolin-2-ium bromide
CID 10968580
1-benzylpyridin-1-ium;ethane
CID 90840399
1-benzyl-4-bromo-3-methylpyridin-1-ium
CID 156864284
2-benzylisoquinolin-2-ium-8-thiol
CID 139739856
2-benzyl-9H-pyrido[3,4-b]indol-2-ium
CID 46907599
1-benzyl-3-propylimidazol-1-ium
CID 87808190
2-benzyl-8-bromoisoquinolin-2-ium
CID 139740242
2-benzyl-9-hexylpyrido[3,4-b]indol-2-ium
CID 71739540
6-benzyl-1,6-naphthyridin-6-ium bromide
CID 13193865
(1-benzyl-3-fluoropyridin-1-ium-4-yl)methanol;hydrobromide
CID 159750358
2-benzylisoquinolin-2-ium-4-thiol
CID 139739342
5-benzyl-10,20-diaza-5-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 155808922

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide?
The IUPAC name of 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide (CID 156819462) is 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide.
What is the SMILES notation for 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide?
The canonical SMILES for 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide is Br.CC.Cn1ccc2c[n+](Cc3ccccc3)ccc2c1=O.
What is the InChIKey of 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide?
The InChIKey is FYNAEPVPSIWJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O.C2H6.BrH/c1-17-9-7-14-12-18(10-8-15(14)16(17)19)11-13-5-3-2-4-6-13;1-2;/h2-10,12H,11H2,1H3;1-2H3;1H/q+1;;.
What are the key properties of 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide?
6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide has a molecular weight of 362.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-2,6-naphthyridin-6-ium-1-one;ethane;hydrobromide is sourced from PubChem (CID 156819462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).