methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate

C32H43N3O5 — CID 142300774

IUPACmethoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn12)N1CCOCC1.COC
InChIInChI=1S/C30H37N3O4.C2H6O/c1-21(2)37-30(34)28-18-27-17-26(25-7-5-6-24(16-25)19-31-8-12-35-13-9-31)20-33(27)29(22(28)3)23(4)32-10-14-36-15-11-32;1-3-2/h5-7,16-18,20-21H,4,8-15,19H2,1-3H3;1-2H3
InChIKeyRENJEAIJZUEYCS-UHFFFAOYSA-N
MW549.71 g/mol
LogP4.88
Rot. Bonds7

About methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate

methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate (PubChem CID 142300774) has the molecular formula C32H43N3O5 and a molecular weight of 549.71 g/mol. Its IUPAC name is methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate.

Molecular Properties

Compound Namemethoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate
PubChem CID142300774
Molecular FormulaC32H43N3O5
Molecular Weight549.71 g/mol
Exact Mass549.32
IUPAC Namemethoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn12)N1CCOCC1.COC
InChIInChI=1S/C30H37N3O4.C2H6O/c1-21(2)37-30(34)28-18-27-17-26(25-7-5-6-24(16-25)19-31-8-12-35-13-9-31)20-33(27)29(22(28)3)23(4)32-10-14-36-15-11-32;1-3-2/h5-7,16-18,20-21H,4,8-15,19H2,1-3H3;1-2H3
InChIKeyRENJEAIJZUEYCS-UHFFFAOYSA-N
XLogP4.88
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.71
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
propan-2-yl 3-[(4-oxopiperidin-1-yl)methyl]benzoate
CID 82342755
propan-2-yl 1-[2-methyl-3-(1-morpholin-4-ylethenyl)phenyl]indolizine-7-carboxylate
CID 175336975
(2R)-2-[4-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]propanamide
CID 126426099
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032

Frequently Asked Questions

What is the IUPAC name of methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate?
The IUPAC name of methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate (CID 142300774) is methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate.
What is the SMILES notation for methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate?
The canonical SMILES for methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn12)N1CCOCC1.COC.
What is the InChIKey of methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate?
The InChIKey is RENJEAIJZUEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4.C2H6O/c1-21(2)37-30(34)28-18-27-17-26(25-7-5-6-24(16-25)19-31-8-12-35-13-9-31)20-33(27)29(22(28)3)23(4)32-10-14-36-15-11-32;1-3-2/h5-7,16-18,20-21H,4,8-15,19H2,1-3H3;1-2H3.
What are the key properties of methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate?
methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate has a molecular weight of 549.71 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate is sourced from PubChem (CID 142300774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).