1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium

C59H67N6+3 — CID 159192482

IUPAC1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium
SMILESCc1ccccc1-c1ccc2ncc(C(C)C)cc2[n+]1C.Cc1ccccc1-c1ccc2ncc(CC(C)C)cc2[n+]1C.Cc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C
InChIInChI=1S/2C20H23N2.C19H21N2/c1-14(2)11-16-12-20-18(21-13-16)9-10-19(22(20)4)17-8-6-5-7-15(17)3;1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3;1-13(2)15-11-19-17(20-12-15)9-10-18(21(19)4)16-8-6-5-7-14(16)3/h2*5-10,12-14H,11H2,1-4H3;5-13H,1-4H3/q3*+1
InChIKeyMWMIYTIMEARQSE-UHFFFAOYSA-N
MW860.23 g/mol
LogP12.62
Rot. Bonds8

About 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium (PubChem CID 159192482) has the molecular formula C59H67N6+3 and a molecular weight of 860.23 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium
PubChem CID159192482
Molecular FormulaC59H67N6+3
Molecular Weight860.23 g/mol
Exact Mass859.54
IUPAC Name1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium
SMILESCc1ccccc1-c1ccc2ncc(C(C)C)cc2[n+]1C.Cc1ccccc1-c1ccc2ncc(CC(C)C)cc2[n+]1C.Cc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C
InChIInChI=1S/2C20H23N2.C19H21N2/c1-14(2)11-16-12-20-18(21-13-16)9-10-19(22(20)4)17-8-6-5-7-15(17)3;1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3;1-13(2)15-11-19-17(20-12-15)9-10-18(21(19)4)16-8-6-5-7-14(16)3/h2*5-10,12-14H,11H2,1-4H3;5-13H,1-4H3/q3*+1
InChIKeyMWMIYTIMEARQSE-UHFFFAOYSA-N
XLogP12.62
TPSA50.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.23
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium with MolForge

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Related Compounds

1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium
CID 123934161
1-methyl-2-(2-methylphenyl)-4,7-bis(2-methylpropyl)quinolin-1-ium
CID 170404969
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium
CID 157093399
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
CID 159004040
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123573310
2-(2-methylphenyl)-5-(2-methylpropyl)pyridine
CID 129095802
1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
CID 123976540
1,3-dimethyl-6-(2-methylphenyl)-2-(2-methylpropyl)pyridin-1-ium
CID 164777978
1-methyl-2-(2-methylphenyl)-8-(2-methylpropyl)-9H-indeno[1,2-b]pyrazin-1-ium
CID 158322918
1,2,3-trimethyl-6-[2-methyl-4-(2-methylpropyl)phenyl]pyridin-1-ium
CID 123682313
5-(4-ethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-5-(4-propan-2-ylphenyl)pyridin-1-ium
CID 159467188
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,8-naphthyridin-1-ium
CID 123928150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium (CID 159192482) is 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium is Cc1ccccc1-c1ccc2ncc(C(C)C)cc2[n+]1C.Cc1ccccc1-c1ccc2ncc(CC(C)C)cc2[n+]1C.Cc1ccccc1-c1cnc2ccc(CC(C)C)cc2[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium?
The InChIKey is MWMIYTIMEARQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23N2.C19H21N2/c1-14(2)11-16-12-20-18(21-13-16)9-10-19(22(20)4)17-8-6-5-7-15(17)3;1-14(2)11-16-9-10-18-19(12-16)22(4)20(13-21-18)17-8-6-5-7-15(17)3;1-13(2)15-11-19-17(20-12-15)9-10-18(21(19)4)16-8-6-5-7-14(16)3/h2*5-10,12-14H,11H2,1-4H3;5-13H,1-4H3/q3*+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium?
1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium has a molecular weight of 860.23 g/mol, XLogP of 12.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)-1,5-naphthyridin-1-ium;1-methyl-2-(2-methylphenyl)-7-(2-methylpropyl)quinoxalin-1-ium;1-methyl-2-(2-methylphenyl)-7-propan-2-yl-1,5-naphthyridin-1-ium is sourced from PubChem (CID 159192482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).