8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine

C38H34N6O2 — CID 139055156

IUPAC8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine
SMILESCOc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1.COc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1
InChIInChI=1S/2C19H17N3O/c2*1-12-10-13(2)20-19-16(12)8-9-18-21-17(11-22(18)19)14-4-6-15(23-3)7-5-14/h2*4-11H,1-3H3
InChIKeyJGJCEFJPPKJMFE-UHFFFAOYSA-N
MW606.73 g/mol
LogP8.35
Rot. Bonds4

About 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine

8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine (PubChem CID 139055156) has the molecular formula C38H34N6O2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine
PubChem CID139055156
Molecular FormulaC38H34N6O2
Molecular Weight606.73 g/mol
Exact Mass606.27
IUPAC Name8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine
SMILESCOc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1.COc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1
InChIInChI=1S/2C19H17N3O/c2*1-12-10-13(2)20-19-16(12)8-9-18-21-17(11-22(18)19)14-4-6-15(23-3)7-5-14/h2*4-11H,1-3H3
InChIKeyJGJCEFJPPKJMFE-UHFFFAOYSA-N
XLogP8.35
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine?
The IUPAC name of 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine (CID 139055156) is 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine?
The canonical SMILES for 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine is COc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1.COc1ccc(-c2cn3c(ccc4c(C)cc(C)nc43)n2)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine?
The InChIKey is JGJCEFJPPKJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H17N3O/c2*1-12-10-13(2)20-19-16(12)8-9-18-21-17(11-22(18)19)14-4-6-15(23-3)7-5-14/h2*4-11H,1-3H3.
What are the key properties of 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine?
8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine has a molecular weight of 606.73 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2,4-dimethylimidazo[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 139055156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).