ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate

C19H18N2O4 — CID 171462969

IUPACethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(N)cc12
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)15-11-17(21-9-8-13(20)10-16(15)21)18(22)12-4-6-14(24-2)7-5-12/h4-11H,3,20H2,1-2H3
InChIKeyAMBZGWWOCZYOGF-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.94
Rot. Bonds5

About ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate

ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate (PubChem CID 171462969) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
PubChem CID171462969
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(N)cc12
InChIInChI=1S/C19H18N2O4/c1-3-25-19(23)15-11-17(21-9-8-13(20)10-16(15)21)18(22)12-4-6-14(24-2)7-5-12/h4-11H,3,20H2,1-2H3
InChIKeyAMBZGWWOCZYOGF-UHFFFAOYSA-N
XLogP2.94
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(4-methoxybenzoyl)-7-(trifluoromethyl)indolizine-1-carboxylate
CID 170530629
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 3-(4-bromobenzoyl)-7-[3-(4-bromobenzoyl)-1-ethoxycarbonylindolizin-7-yl]indolizine-1-carboxylate
CID 101053717
ethyl 7-(4-bromobenzoyl)-3-(4-methoxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4183130
ethyl 3-(2,4-dimethoxyphenyl)-7-(4-methoxybenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4180564
ethyl 7-methoxy-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]indolizine-1-carboxylate
CID 127043147
ethyl 3-(3,5-dimethoxybenzoyl)-7-[1-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]indolizine-1-carboxylate bromide
CID 164946316
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 3-[5-(4-methoxyphenyl)thiophene-2-carbonyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234271

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate?
The IUPAC name of ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate (CID 171462969) is ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate.
What is the SMILES notation for ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate?
The canonical SMILES for ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2ccc(N)cc12.
What is the InChIKey of ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate?
The InChIKey is AMBZGWWOCZYOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-25-19(23)15-11-17(21-9-8-13(20)10-16(15)21)18(22)12-4-6-14(24-2)7-5-12/h4-11H,3,20H2,1-2H3.
What are the key properties of ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate?
ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-3-(4-methoxybenzoyl)indolizine-1-carboxylate is sourced from PubChem (CID 171462969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).