ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate

C19H16FNO3 — CID 72701725

IUPACethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cccn2c(C(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H16FNO3/c1-3-24-19(23)16-11-15-5-4-10-21(15)17(12(16)2)18(22)13-6-8-14(20)9-7-13/h4-11H,3H2,1-2H3
InChIKeyPSVXBJBPXYWVQH-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.79
Rot. Bonds4

About ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate

ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate (PubChem CID 72701725) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
PubChem CID72701725
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Nameethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2cccn2c(C(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C19H16FNO3/c1-3-24-19(23)16-11-15-5-4-10-21(15)17(12(16)2)18(22)13-6-8-14(20)9-7-13/h4-11H,3H2,1-2H3
InChIKeyPSVXBJBPXYWVQH-UHFFFAOYSA-N
XLogP3.79
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-fluorobenzoyl)indolizine-7-carboxylate
CID 165114067
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate
CID 72701593
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
2-[3-ethoxycarbonyl-5-(4-fluorobenzoyl)-1,4-dimethylpyrrol-2-yl]butanoic acid
CID 70482371
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 1-(4-fluorophenyl)iminopyrido[1,2-c]pyrimidine-3-carboxylate
CID 10638760
ethyl 1-(4-fluorobenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 988020
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate?
The IUPAC name of ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate (CID 72701725) is ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate is CCOC(=O)c1cc2cccn2c(C(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate?
The InChIKey is PSVXBJBPXYWVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-3-24-19(23)16-11-15-5-4-10-21(15)17(12(16)2)18(22)13-6-8-14(20)9-7-13/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate?
ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate is sourced from PubChem (CID 72701725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).