5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde

C24H22N2O3 — CID 87886144

IUPAC5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2c(C)c(C=O)n3c(-c4ccc(N)c(OC)c4)cccc23)cc1
InChIInChI=1S/C24H22N2O3/c1-15-22(14-27)26-20(17-9-12-19(25)23(13-17)29-3)5-4-6-21(26)24(15)16-7-10-18(28-2)11-8-16/h4-14H,25H2,1-3H3
InChIKeyDWPGZVLGUVDTTQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.99
Rot. Bonds5

About 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde

5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde (PubChem CID 87886144) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde
PubChem CID87886144
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde
SMILESCOc1ccc(-c2c(C)c(C=O)n3c(-c4ccc(N)c(OC)c4)cccc23)cc1
InChIInChI=1S/C24H22N2O3/c1-15-22(14-27)26-20(17-9-12-19(25)23(13-17)29-3)5-4-6-21(26)24(15)16-7-10-18(28-2)11-8-16/h4-14H,25H2,1-3H3
InChIKeyDWPGZVLGUVDTTQ-UHFFFAOYSA-N
XLogP4.99
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-Methoxyphenyl)-9-phenylpyrido[3,4-b]indole-3-carbaldehyde
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3-(4-Ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5-[(propan-2-ylamino)methyl]indole-2-carbaldehyde
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3-(4-methoxyphenyl)-1-methylindole-2-carbaldehyde;(1Z,3E,5Z)-2-methyl-4-(trifluoromethyl)cycloocta-1,3,5-triene
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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde?
The IUPAC name of 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde (CID 87886144) is 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde.
What is the SMILES notation for 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde?
The canonical SMILES for 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde is COc1ccc(-c2c(C)c(C=O)n3c(-c4ccc(N)c(OC)c4)cccc23)cc1.
What is the InChIKey of 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde?
The InChIKey is DWPGZVLGUVDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-22(14-27)26-20(17-9-12-19(25)23(13-17)29-3)5-4-6-21(26)24(15)16-7-10-18(28-2)11-8-16/h4-14H,25H2,1-3H3.
What are the key properties of 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde?
5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde has a molecular weight of 386.45 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methoxyphenyl)-1-(4-methoxyphenyl)-2-methylindolizine-3-carbaldehyde is sourced from PubChem (CID 87886144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).