3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide

C25H21N3O6 — CID 68849141

IUPAC3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3cc(C(N)=O)ccc23)cc1
InChIInChI=1S/C25H21N3O6/c1-14-22(15-4-8-18(33-2)9-5-15)20-11-7-17(25(26)30)13-27(20)23(14)24(29)16-6-10-19(28(31)32)21(12-16)34-3/h4-13H,1-3H3,(H2,26,30)
InChIKeyMEIZMWJPNFZHNL-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.17
Rot. Bonds7

About 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide

3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide (PubChem CID 68849141) has the molecular formula C25H21N3O6 and a molecular weight of 459.46 g/mol. Its IUPAC name is 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide.

Molecular Properties

Compound Name3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide
PubChem CID68849141
Molecular FormulaC25H21N3O6
Molecular Weight459.46 g/mol
Exact Mass459.14
IUPAC Name3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3cc(C(N)=O)ccc23)cc1
InChIInChI=1S/C25H21N3O6/c1-14-22(15-4-8-18(33-2)9-5-15)20-11-7-17(25(26)30)13-27(20)23(14)24(29)16-6-10-19(28(31)32)21(12-16)34-3/h4-13H,1-3H3,(H2,26,30)
InChIKeyMEIZMWJPNFZHNL-UHFFFAOYSA-N
XLogP4.17
TPSA126.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxy-4-nitrobenzoyl)-2-methyl-6-phenylmethoxyindolizine-1-carboxylic acid
CID 68849170
N-[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]acetamide
CID 68710035
[3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl]carbamic acid
CID 141077322
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
[7-amino-3-(3-methoxy-4-nitrobenzoyl)-2-methylindolizin-1-yl] 2-phenylacetate
CID 151633631
ethyl 3-(3-methoxy-4-nitrobenzoyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 11852091
1-(3-methoxy-4-nitrophenyl)-2-methylpropan-1-one
CID 83969059
dimethyl 3-(4-methoxyphenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CID 4532121
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
3-[4-(methylamino)phenoxy]-4-nitrobenzamide
CID 82992355
4-(3-ethoxy-4-nitrophenoxy)benzamide
CID 133425253
4-(1-chloroethenyl)-2-methoxy-1-nitrobenzene
CID 143994259

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide?
The IUPAC name of 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide (CID 68849141) is 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide.
What is the SMILES notation for 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide?
The canonical SMILES for 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide is COc1ccc(-c2c(C)c(C(=O)c3ccc([N+](=O)[O-])c(OC)c3)n3cc(C(N)=O)ccc23)cc1.
What is the InChIKey of 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide?
The InChIKey is MEIZMWJPNFZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6/c1-14-22(15-4-8-18(33-2)9-5-15)20-11-7-17(25(26)30)13-27(20)23(14)24(29)16-6-10-19(28(31)32)21(12-16)34-3/h4-13H,1-3H3,(H2,26,30).
What are the key properties of 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide?
3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-nitrobenzoyl)-1-(4-methoxyphenyl)-2-methylindolizine-6-carboxamide is sourced from PubChem (CID 68849141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).