propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate

C25H28N2O3 — CID 175336975

IUPACpropan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
SMILESC=C(c1cccc(-c2ccn3ccc(C(=O)OC(C)C)cc23)c1C)N1CCOCC1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-25(28)20-8-10-27-11-9-23(24(27)16-20)22-7-5-6-21(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17H,4,12-15H2,1-3H3
InChIKeyNLZSEXBKJQCJGT-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.78
Rot. Bonds5

About propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate

propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate (PubChem CID 175336975) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
PubChem CID175336975
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namepropan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
SMILESC=C(c1cccc(-c2ccn3ccc(C(=O)OC(C)C)cc23)c1C)N1CCOCC1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-25(28)20-8-10-27-11-9-23(24(27)16-20)22-7-5-6-21(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17H,4,12-15H2,1-3H3
InChIKeyNLZSEXBKJQCJGT-UHFFFAOYSA-N
XLogP4.78
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate
CID 142300774
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
propan-2-yl N-(2-methylbenzoyl)morpholine-4-carboximidate
CID 7350888
propan-2-yl 1-bromo-6-methyl-5-(1-piperazin-1-ylethenyl)indolizine-7-carboxylate
CID 138733398
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-(methylsulfinylmethyl)benzoate
CID 55456096
propan-2-yl 2-phenylindolizine-7-carboxylate
CID 175803341
ethyl 6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethenyl)-1-propan-2-ylindolizine-7-carboxylate
CID 138733538
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 7981246
[(1R)-1-cyanoethyl] 3-morpholin-4-ylsulfonylbenzoate
CID 2508494
ethane;1-[6-methyl-5-(1-morpholin-4-ylethenyl)-2-prop-1-en-2-ylindolizin-7-yl]ethanone
CID 142300590
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55426814

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate (CID 175336975) is propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate is C=C(c1cccc(-c2ccn3ccc(C(=O)OC(C)C)cc23)c1C)N1CCOCC1.
What is the InChIKey of propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate?
The InChIKey is NLZSEXBKJQCJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17(2)30-25(28)20-8-10-27-11-9-23(24(27)16-20)22-7-5-6-21(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17H,4,12-15H2,1-3H3.
What are the key properties of propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate?
propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate has a molecular weight of 404.51 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate is sourced from PubChem (CID 175336975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).