2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid

C17H21BrN2O3 — CID 138733660

IUPAC2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid
SMILESCCC(c1cc2cc(Br)cn2c(C(=O)O)c1C)N1CCOCC1
InChIInChI=1S/C17H21BrN2O3/c1-3-15(19-4-6-23-7-5-19)14-9-13-8-12(18)10-20(13)16(11(14)2)17(21)22/h8-10,15H,3-7H2,1-2H3,(H,21,22)
InChIKeyQEXNHMYMRIHQIZ-UHFFFAOYSA-N
MW381.27 g/mol
LogP3.49
Rot. Bonds4

About 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid

2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid (PubChem CID 138733660) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid
PubChem CID138733660
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC Name2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid
SMILESCCC(c1cc2cc(Br)cn2c(C(=O)O)c1C)N1CCOCC1
InChIInChI=1S/C17H21BrN2O3/c1-3-15(19-4-6-23-7-5-19)14-9-13-8-12(18)10-20(13)16(11(14)2)17(21)22/h8-10,15H,3-7H2,1-2H3,(H,21,22)
InChIKeyQEXNHMYMRIHQIZ-UHFFFAOYSA-N
XLogP3.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-bromo-3-methylphenyl)-3-morpholin-4-ylpropanoate
CID 66481310
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
3-(2,3-dimethylphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526750
(3S)-3-[3-amino-4-[(1S)-1-morpholin-4-ylpropyl]phenyl]-4-methoxybutanoic acid
CID 146430884
3-(4-bromo-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 81440796
1-(2-bromo-7-ethyl-6-methylindolizin-5-yl)ethanone;formic acid
CID 142300413
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
3-(4,5-dibromothiophen-2-yl)-3-morpholin-4-ylpropanoic acid
CID 102844841
ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 64528413
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528121

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid?
The IUPAC name of 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid (CID 138733660) is 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid.
What is the SMILES notation for 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid?
The canonical SMILES for 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid is CCC(c1cc2cc(Br)cn2c(C(=O)O)c1C)N1CCOCC1.
What is the InChIKey of 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid?
The InChIKey is QEXNHMYMRIHQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c1-3-15(19-4-6-23-7-5-19)14-9-13-8-12(18)10-20(13)16(11(14)2)17(21)22/h8-10,15H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid?
2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid has a molecular weight of 381.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methyl-7-(1-morpholin-4-ylpropyl)indolizine-5-carboxylic acid is sourced from PubChem (CID 138733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).