6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium

C20H23N2+ — CID 123543287

IUPAC6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
SMILESCc1ccccc1-c1cc2nccc(CC(C)C)c2c[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)11-16-9-10-21-19-12-20(22(4)13-18(16)19)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1
InChIKeyWBXKYTZSFNUCJD-UHFFFAOYSA-N
MW291.42 g/mol
LogP4.23
Rot. Bonds3

About 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium

6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium (PubChem CID 123543287) has the molecular formula C20H23N2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
PubChem CID123543287
Molecular FormulaC20H23N2+
Molecular Weight291.42 g/mol
Exact Mass291.19
IUPAC Name6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
SMILESCc1ccccc1-c1cc2nccc(CC(C)C)c2c[n+]1C
InChIInChI=1S/C20H23N2/c1-14(2)11-16-9-10-21-19-12-20(22(4)13-18(16)19)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1
InChIKeyWBXKYTZSFNUCJD-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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Related Compounds

trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242
4-ethyl-1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium
CID 123730706
4-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-2-(2,3,3,3-tetradeuterio-2-methylpropyl)pyrimidine
CID 158344622
3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)-5-propan-2-ylpyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-2-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium
CID 158490309
7-chloro-4-(2-methylpropyl)quinoline
CID 57147452
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123573310
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
1-methyl-2-(2-methylphenyl)-4-[6-(2-methylpropyl)-2-pyridinyl]pyridin-1-ium
CID 123166684
2-(2,4-dimethylphenyl)-1,4-dimethyl-5-(2-methylpropyl)pyridin-1-ium
CID 153461119
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium?
The IUPAC name of 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium (CID 123543287) is 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium.
What is the SMILES notation for 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium?
The canonical SMILES for 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium is Cc1ccccc1-c1cc2nccc(CC(C)C)c2c[n+]1C.
What is the InChIKey of 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium?
The InChIKey is WBXKYTZSFNUCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N2/c1-14(2)11-16-9-10-21-19-12-20(22(4)13-18(16)19)17-8-6-5-7-15(17)3/h5-10,12-14H,11H2,1-4H3/q+1.
What are the key properties of 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium?
6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-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 6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium is sourced from PubChem (CID 123543287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).