propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate

C25H30N2O3 — CID 139311524

IUPACpropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCOCC1
InChIInChI=1S/C25H30N2O3/c1-17(2)30-25(28)22-16-23-21(20-8-6-5-7-9-20)10-11-27(23)24(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17,19H,12-15H2,1-4H3
InChIKeySUMUOEHIKNXQAO-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.87
Rot. Bonds5

About propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate (PubChem CID 139311524) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
PubChem CID139311524
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCOCC1
InChIInChI=1S/C25H30N2O3/c1-17(2)30-25(28)22-16-23-21(20-8-6-5-7-9-20)10-11-27(23)24(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17,19H,12-15H2,1-4H3
InChIKeySUMUOEHIKNXQAO-UHFFFAOYSA-N
XLogP4.87
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 142300446
methanol;6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carbaldehyde
CID 142300594
propan-2-yl 1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 139312213
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
propan-2-yl 6-methyl-5-[1-(4-methylpiperidin-1-yl)ethenyl]-1-phenylindolizine-7-carboxylate
CID 163973023
propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 138733395
propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 134340953
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
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
propan-2-yl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 139312147
6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
CID 139311468
6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[4-(1,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 175337049

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate (CID 139311524) is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCOCC1.
What is the InChIKey of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate?
The InChIKey is SUMUOEHIKNXQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17(2)30-25(28)22-16-23-21(20-8-6-5-7-9-20)10-11-27(23)24(18(22)3)19(4)26-12-14-29-15-13-26/h5-11,16-17,19H,12-15H2,1-4H3.
What are the key properties of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate?
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate is sourced from PubChem (CID 139311524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).