6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine

C25H25NO4 — CID 71764186

IUPAC6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine
SMILESCOc1ccc(-c2cc3cccn3c(C)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H25NO4/c1-16-25(18-9-11-22(28-3)24(14-18)30-5)20(15-19-7-6-12-26(16)19)17-8-10-21(27-2)23(13-17)29-4/h6-15H,1-5H3
InChIKeyLNMPZMKFICZMME-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.62
Rot. Bonds6

About 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine

6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine (PubChem CID 71764186) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine.

Molecular Properties

Compound Name6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine
PubChem CID71764186
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine
SMILESCOc1ccc(-c2cc3cccn3c(C)c2-c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H25NO4/c1-16-25(18-9-11-22(28-3)24(14-18)30-5)20(15-19-7-6-12-26(16)19)17-8-10-21(27-2)23(13-17)29-4/h6-15H,1-5H3
InChIKeyLNMPZMKFICZMME-UHFFFAOYSA-N
XLogP5.62
TPSA41.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-methylindolizine
CID 12694398
2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758451
2-(4-methoxy-3-propan-2-ylphenyl)indolizine-3-carbaldehyde
CID 3753661
2-(3-tert-butyl-4-methoxyphenyl)indolizine-3-carbaldehyde
CID 3651046
3-(3,4-dimethoxyphenyl)quinolin-2-amine
CID 1480774
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
1-bromo-3-(3,4-dimethoxyphenyl)imidazo[1,5-a]pyridine
CID 28798088
2-chloro-3-(3,4-dimethoxyphenyl)pyridine
CID 82087270
3-(3,4-dimethoxyphenyl)-4-methylaniline
CID 39232128
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 139173944
3-(4-methoxy-3-methylphenyl)imidazo[1,5-a]pyridine
CID 116836471

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine?
The IUPAC name of 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine (CID 71764186) is 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine.
What is the SMILES notation for 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine?
The canonical SMILES for 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine is COc1ccc(-c2cc3cccn3c(C)c2-c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine?
The InChIKey is LNMPZMKFICZMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-25(18-9-11-22(28-3)24(14-18)30-5)20(15-19-7-6-12-26(16)19)17-8-10-21(27-2)23(13-17)29-4/h6-15H,1-5H3.
What are the key properties of 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine?
6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine has a molecular weight of 403.48 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(3,4-dimethoxyphenyl)-5-methylindolizine is sourced from PubChem (CID 71764186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).