ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride

C19H24Cl2N2O2 — CID 18317953

IUPACethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C2NCCc3c2n(C)c2ccc(Cl)cc32)CCC1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-3-24-18(23)19(8-4-9-19)17-16-13(7-10-21-17)14-11-12(20)5-6-15(14)22(16)2;/h5-6,11,17,21H,3-4,7-10H2,1-2H3;1H
InChIKeyFEWTVXKTILFLLI-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.17
Rot. Bonds3

About ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride

ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride (PubChem CID 18317953) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride
PubChem CID18317953
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Nameethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C2NCCc3c2n(C)c2ccc(Cl)cc32)CCC1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-3-24-18(23)19(8-4-9-19)17-16-13(7-10-21-17)14-11-12(20)5-6-15(14)22(16)2;/h5-6,11,17,21H,3-4,7-10H2,1-2H3;1H
InChIKeyFEWTVXKTILFLLI-UHFFFAOYSA-N
XLogP4.17
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-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 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride (CID 18317953) is ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride is CCOC(=O)C1(C2NCCc3c2n(C)c2ccc(Cl)cc32)CCC1.Cl.
What is the InChIKey of ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride?
The InChIKey is FEWTVXKTILFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2.ClH/c1-3-24-18(23)19(8-4-9-19)17-16-13(7-10-21-17)14-11-12(20)5-6-15(14)22(16)2;/h5-6,11,17,21H,3-4,7-10H2,1-2H3;1H.
What are the key properties of ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride?
ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 18317953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).