methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate

C35H24F2N2O6 — CID 175611912

IUPACmethyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cc(CCOC(=O)c3cc(C(=O)c4ccc(F)cc4)n4cccc4c3)cc2c1
InChIInChI=1S/C35H24F2N2O6/c1-44-34(42)24-17-29-15-21(20-39(29)31(18-24)33(41)23-6-10-27(37)11-7-23)12-14-45-35(43)25-16-28-3-2-13-38(28)30(19-25)32(40)22-4-8-26(36)9-5-22/h2-11,13,15-20H,12,14H2,1H3
InChIKeyUBLYNPOFFPEXJS-UHFFFAOYSA-N
MW606.58 g/mol
LogP6.12
Rot. Bonds9

About methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate

methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate (PubChem CID 175611912) has the molecular formula C35H24F2N2O6 and a molecular weight of 606.58 g/mol. Its IUPAC name is methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate
PubChem CID175611912
Molecular FormulaC35H24F2N2O6
Molecular Weight606.58 g/mol
Exact Mass606.16
IUPAC Namemethyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate
SMILESCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cc(CCOC(=O)c3cc(C(=O)c4ccc(F)cc4)n4cccc4c3)cc2c1
InChIInChI=1S/C35H24F2N2O6/c1-44-34(42)24-17-29-15-21(20-39(29)31(18-24)33(41)23-6-10-27(37)11-7-23)12-14-45-35(43)25-16-28-3-2-13-38(28)30(19-25)32(40)22-4-8-26(36)9-5-22/h2-11,13,15-20H,12,14H2,1H3
InChIKeyUBLYNPOFFPEXJS-UHFFFAOYSA-N
XLogP6.12
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate?
The IUPAC name of methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate (CID 175611912) is methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate?
The canonical SMILES for methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate is COC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cc(CCOC(=O)c3cc(C(=O)c4ccc(F)cc4)n4cccc4c3)cc2c1.
What is the InChIKey of methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate?
The InChIKey is UBLYNPOFFPEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24F2N2O6/c1-44-34(42)24-17-29-15-21(20-39(29)31(18-24)33(41)23-6-10-27(37)11-7-23)12-14-45-35(43)25-16-28-3-2-13-38(28)30(19-25)32(40)22-4-8-26(36)9-5-22/h2-11,13,15-20H,12,14H2,1H3.
What are the key properties of methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate?
methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate has a molecular weight of 606.58 g/mol, XLogP of 6.12, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorobenzoyl)-2-[2-[5-(4-fluorobenzoyl)indolizine-7-carbonyl]oxyethyl]indolizine-7-carboxylate is sourced from PubChem (CID 175611912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).