6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium

C22H27N2+ — CID 161413854

IUPAC6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
SMILESCc1cc(C)c(C)c(-c2c3ccc(C(C)C)nc3cc(C)[n+]2C)c1
InChIInChI=1S/C22H27N2/c1-13(2)20-9-8-18-21(23-20)12-16(5)24(7)22(18)19-11-14(3)10-15(4)17(19)6/h8-13H,1-7H3/q+1
InChIKeyGLNIJQRVKATSIL-UHFFFAOYSA-N
MW319.47 g/mol
LogP5.08
Rot. Bonds2

About 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium

6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium (PubChem CID 161413854) has the molecular formula C22H27N2+ and a molecular weight of 319.47 g/mol. Its IUPAC name is 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium.

Molecular Properties

Compound Name6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
PubChem CID161413854
Molecular FormulaC22H27N2+
Molecular Weight319.47 g/mol
Exact Mass319.22
IUPAC Name6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
SMILESCc1cc(C)c(C)c(-c2c3ccc(C(C)C)nc3cc(C)[n+]2C)c1
InChIInChI=1S/C22H27N2/c1-13(2)20-9-8-18-21(23-20)12-16(5)24(7)22(18)19-11-14(3)10-15(4)17(19)6/h8-13H,1-7H3/q+1
InChIKeyGLNIJQRVKATSIL-UHFFFAOYSA-N
XLogP5.08
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-deuterio-5-(4-fluoro-2,3,5-trimethylphenyl)-6,7-dimethyl-2-propan-2-yl-1,6-naphthyridin-6-ium
CID 159041969
7-(3,3-dimethylcyclopentyl)-2,3-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
CID 169055388
2-methyl-6,7-di(propan-2-yl)-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 123915658
4-deuterio-6-(2,4-dimethylpentan-3-yl)-2,3,7-trimethyl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 158978662
4-deuterio-8-fluoro-2,3-dimethyl-1-(2,3,5-trimethylphenyl)benzo[h]isoquinolin-2-ium
CID 158016116
2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium
CID 159903965
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
CID 123162268
1,2,4-trimethyl-6-(2,3,5-trimethylphenyl)pyridin-1-ium
CID 164797263
4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-b]pyridin-4-ium
CID 123931201
4-deuterio-2,3,7-trimethyl-6-pentan-3-yl-1-(2,3,5-trimethylphenyl)isoquinolin-2-ium
CID 158690405
1-(2,3-dimethyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylisoquinolin-2-ium
CID 158409406
5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium
CID 123988664

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?
The IUPAC name of 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium (CID 161413854) is 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium.
What is the SMILES notation for 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?
The canonical SMILES for 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium is Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)nc3cc(C)[n+]2C)c1.
What is the InChIKey of 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?
The InChIKey is GLNIJQRVKATSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2/c1-13(2)20-9-8-18-21(23-20)12-16(5)24(7)22(18)19-11-14(3)10-15(4)17(19)6/h8-13H,1-7H3/q+1.
What are the key properties of 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?
6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium has a molecular weight of 319.47 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium is sourced from PubChem (CID 161413854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).