5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane

C18H19BrN2 — CID 155729243

IUPAC5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane
SMILESCC.Cc1cccc(-c2ccc3c(Br)cnc(C)c3n2)c1
InChIInChI=1S/C16H13BrN2.C2H6/c1-10-4-3-5-12(8-10)15-7-6-13-14(17)9-18-11(2)16(13)19-15;1-2/h3-9H,1-2H3;1-2H3
InChIKeyWBXZTHJTDHFJHX-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.70
Rot. Bonds1

About 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane

5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane (PubChem CID 155729243) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane.

Molecular Properties

Compound Name5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane
PubChem CID155729243
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane
SMILESCC.Cc1cccc(-c2ccc3c(Br)cnc(C)c3n2)c1
InChIInChI=1S/C16H13BrN2.C2H6/c1-10-4-3-5-12(8-10)15-7-6-13-14(17)9-18-11(2)16(13)19-15;1-2/h3-9H,1-2H3;1-2H3
InChIKeyWBXZTHJTDHFJHX-UHFFFAOYSA-N
XLogP5.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane 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

6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
CID 138464468
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
2-(3-methylphenyl)-6-propan-2-ylpyridine
CID 142459956
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
CID 159550728
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
trimethyl-[6-(3-methylphenyl)-3-pyridinyl]silane
CID 166573501
5-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464216
2-methyl-6-(3-methylphenyl)pteridin-4-amine
CID 155363915
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane?
The IUPAC name of 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane (CID 155729243) is 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane.
What is the SMILES notation for 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane?
The canonical SMILES for 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane is CC.Cc1cccc(-c2ccc3c(Br)cnc(C)c3n2)c1.
What is the InChIKey of 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane?
The InChIKey is WBXZTHJTDHFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2.C2H6/c1-10-4-3-5-12(8-10)15-7-6-13-14(17)9-18-11(2)16(13)19-15;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane?
5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane has a molecular weight of 343.27 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methyl-2-(3-methylphenyl)-1,7-naphthyridine;ethane is sourced from PubChem (CID 155729243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).