2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium

C19H21N2+ — CID 123983574

IUPAC2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
SMILESCc1ccccc1-c1c2cnc(C(C)C)cc2cc[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)18-11-15-9-10-21(4)19(17(15)12-20-18)16-8-6-5-7-14(16)3/h5-13H,1-4H3/q+1
InChIKeyFRVGWGQWELNGDF-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.16
Rot. Bonds2

About 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium

2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium (PubChem CID 123983574) has the molecular formula C19H21N2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium.

Molecular Properties

Compound Name2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
PubChem CID123983574
Molecular FormulaC19H21N2+
Molecular Weight277.39 g/mol
Exact Mass277.17
IUPAC Name2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium
SMILESCc1ccccc1-c1c2cnc(C(C)C)cc2cc[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)18-11-15-9-10-21(4)19(17(15)12-20-18)16-8-6-5-7-14(16)3/h5-13H,1-4H3/q+1
InChIKeyFRVGWGQWELNGDF-UHFFFAOYSA-N
XLogP4.16
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.16
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

7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123861351
6-(2,4-dimethylpentan-3-yl)-2-methyl-1-(2-methylphenyl)isoquinolin-2-ium
CID 155638866
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane
CID 155638218
5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 123455228
2-methyl-1-(3-methylnaphthalen-2-yl)-6-propan-2-ylisoquinolin-2-ium
CID 155638091
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
dimethyl-[2-methyl-1-(2-methylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;dimethyl-[2-methyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium-6-yl]-pyridin-2-ylsilane;[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-pyridin-2-ylsilane
CID 161025655
[2-methyl-1-(2-methyl-5-phenylphenyl)isoquinolin-2-ium-6-yl]-tris(2-methylpropyl)silane
CID 155637749
4-ethyl-5-(2-methylphenyl)-2-propan-2-ylpyridine
CID 144787145
2,6-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)isoquinolin-2-ium
CID 155638527
[1-[4-(2,6-dimethylphenyl)-2-methylphenyl]-2-methylisoquinolin-2-ium-6-yl]-dimethyl-propan-2-ylsilane
CID 155637689
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium?
The IUPAC name of 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium (CID 123983574) is 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium.
What is the SMILES notation for 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium?
The canonical SMILES for 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium is Cc1ccccc1-c1c2cnc(C(C)C)cc2cc[n+]1C.
What is the InChIKey of 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium?
The InChIKey is FRVGWGQWELNGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2/c1-13(2)18-11-15-9-10-21(4)19(17(15)12-20-18)16-8-6-5-7-14(16)3/h5-13H,1-4H3/q+1.
What are the key properties of 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium?
2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium has a molecular weight of 277.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylphenyl)-6-propan-2-yl-2,7-naphthyridin-2-ium is sourced from PubChem (CID 123983574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).