ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride

C18H23ClN2O2 — CID 11957152

IUPACethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc2cc3n(c(C)c-2c1C)C(C)C(C)=C3C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-7-22-18(21)17-11(4)16-13(6)20-12(5)9(2)10(3)15(20)8-14(16)19-17;/h8,12H,7H2,1-6H3;1H
InChIKeyIQCZJACNCKLBHV-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.57
Rot. Bonds2

About ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride

ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride (PubChem CID 11957152) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride
PubChem CID11957152
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Nameethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nc2cc3n(c(C)c-2c1C)C(C)C(C)=C3C.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-7-22-18(21)17-11(4)16-13(6)20-12(5)9(2)10(3)15(20)8-14(16)19-17;/h8,12H,7H2,1-6H3;1H
InChIKeyIQCZJACNCKLBHV-UHFFFAOYSA-N
XLogP4.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride (CID 11957152) is ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride is CCOC(=O)c1nc2cc3n(c(C)c-2c1C)C(C)C(C)=C3C.Cl.
What is the InChIKey of ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride?
The InChIKey is IQCZJACNCKLBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-7-22-18(21)17-11(4)16-13(6)20-12(5)9(2)10(3)15(20)8-14(16)19-17;/h8,12H,7H2,1-6H3;1H.
What are the key properties of ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride?
ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4,6,7,8-pentamethyl-6H-pyrrolo[3,2-f]indolizine-2-carboxylate;hydrochloride is sourced from PubChem (CID 11957152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).