1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium

C20H23N2+ — CID 123928150

IUPAC1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
SMILESCc1ccccc1-c1ccc2ccc(CC(C)C)nc2[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)13-17-11-9-16-10-12-19(22(4)20(16)21-17)18-8-6-5-7-15(18)3/h5-12,14H,13H2,1-4H3/q+1
InChIKeyWCYVJBDXVYWFGB-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.23
Rot. Bonds3

About 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium (PubChem CID 123928150) has the molecular formula C20H23N2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
PubChem CID123928150
Molecular FormulaC20H23N2+
Molecular Weight291.42 g/mol
Exact Mass291.19
IUPAC Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
SMILESCc1ccccc1-c1ccc2ccc(CC(C)C)nc2[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)13-17-11-9-16-10-12-19(22(4)20(16)21-17)18-8-6-5-7-15(18)3/h5-12,14H,13H2,1-4H3/q+1
InChIKeyWCYVJBDXVYWFGB-UHFFFAOYSA-N
XLogP4.23
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium (CID 123928150) is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium is Cc1ccccc1-c1ccc2ccc(CC(C)C)nc2[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium?
The InChIKey is WCYVJBDXVYWFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N2/c1-14(2)13-17-11-9-16-10-12-19(22(4)20(16)21-17)18-8-6-5-7-15(18)3/h5-12,14H,13H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium?
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium has a molecular weight of 291.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium is sourced from PubChem (CID 123928150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).