7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium

C19H21N2+ — CID 123573310

IUPAC7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1cc2cc(C(C)C)cnc2c[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)16-9-15-10-19(17-8-6-5-7-14(17)3)21(4)12-18(15)20-11-16/h5-13H,1-4H3/q+1
InChIKeySRNKLUDEUOCBCL-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.16
Rot. Bonds2

About 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium

7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium (PubChem CID 123573310) has the molecular formula C19H21N2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium.

Molecular Properties

Compound Name7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
PubChem CID123573310
Molecular FormulaC19H21N2+
Molecular Weight277.39 g/mol
Exact Mass277.17
IUPAC Name7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
SMILESCc1ccccc1-c1cc2cc(C(C)C)cnc2c[n+]1C
InChIInChI=1S/C19H21N2/c1-13(2)16-9-15-10-19(17-8-6-5-7-14(17)3)21(4)12-18(15)20-11-16/h5-13H,1-4H3/q+1
InChIKeySRNKLUDEUOCBCL-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
trimethyl-[1-methyl-6-(2-methylphenyl)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3-yl]silane
CID 167365037
4-[3,5-di(propan-2-yl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123488433
5-(2-deuteriopropan-2-yl)-4-[6-(2-deuteriopropan-2-yl)naphthalen-2-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830156
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
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
6-methyl-7-(2-methylphenyl)-4-(2-methylpropyl)-1,6-naphthyridin-6-ium
CID 123543287
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662
5-(2-deuteriopropan-2-yl)-14,17-dimethyl-13-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 140871232
6-fluoro-3-propan-2-ylquinoline
CID 90132820
6-ethyl-2-methyl-3-(2-methylphenyl)isoquinolin-2-ium
CID 170527695
trimethyl-[1-methyl-2-(2-methylphenyl)-5-(2-methylpropyl)pyridin-1-ium-4-yl]silane
CID 157442242

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The IUPAC name of 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium (CID 123573310) is 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium.
What is the SMILES notation for 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The canonical SMILES for 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium is Cc1ccccc1-c1cc2cc(C(C)C)cnc2c[n+]1C.
What is the InChIKey of 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
The InChIKey is SRNKLUDEUOCBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2/c1-13(2)16-9-15-10-19(17-8-6-5-7-14(17)3)21(4)12-18(15)20-11-16/h5-13H,1-4H3/q+1.
What are the key properties of 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium?
7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-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 7-methyl-6-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium is sourced from PubChem (CID 123573310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).