1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

C24H28N2O3 — CID 142300446

IUPAC1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1ccc(-c2ccn3c(C(C)N4CCOCC4)c(C)c(C(=O)O)cc23)cc1C
InChIInChI=1S/C24H28N2O3/c1-15-5-6-19(13-16(15)2)20-7-8-26-22(20)14-21(24(27)28)17(3)23(26)18(4)25-9-11-29-12-10-25/h5-8,13-14,18H,9-12H2,1-4H3,(H,27,28)
InChIKeyWGBDBAXVFYWXPI-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.62
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 142300446) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
PubChem CID142300446
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1ccc(-c2ccn3c(C(C)N4CCOCC4)c(C)c(C(=O)O)cc23)cc1C
InChIInChI=1S/C24H28N2O3/c1-15-5-6-19(13-16(15)2)20-7-8-26-22(20)14-21(24(27)28)17(3)23(26)18(4)25-9-11-29-12-10-25/h5-8,13-14,18H,9-12H2,1-4H3,(H,27,28)
InChIKeyWGBDBAXVFYWXPI-UHFFFAOYSA-N
XLogP4.62
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
methanol;6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carbaldehyde
CID 142300594
6-methyl-1-(2-methylpyrimidin-5-yl)-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175336965
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(3,5-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 138733657
6-methyl-1-[4-(methylamino)phenyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 139311539
6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175337049
6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 134340752
6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175336883
6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
CID 139311468
6-methyl-1-(2-methyl-3-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 138733736
propan-2-yl 1-(2-fluoro-4-pyridinyl)-6-methyl-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 175336958
1-(2-methoxy-4-pyridinyl)-6-methyl-N-propan-2-yl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 142754848

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 142300446) is 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1ccc(-c2ccn3c(C(C)N4CCOCC4)c(C)c(C(=O)O)cc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is WGBDBAXVFYWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-15-5-6-19(13-16(15)2)20-7-8-26-22(20)14-21(24(27)28)17(3)23(26)18(4)25-9-11-29-12-10-25/h5-8,13-14,18H,9-12H2,1-4H3,(H,27,28).
What are the key properties of 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 392.50 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 142300446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).