methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride

C17H19ClN2O4 — CID 45261899

IUPACmethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
SMILESCCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H
InChIKeyFHCRBVQGMZUJKY-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.50
Rot. Bonds4

About methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride

methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride (PubChem CID 45261899) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
PubChem CID45261899
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Namemethyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
SMILESCCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12.Cl
InChIInChI=1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H
InChIKeyFHCRBVQGMZUJKY-UHFFFAOYSA-N
XLogP3.50
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride (CID 45261899) is methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride is CCc1c(C(=O)OC)ncc2[nH]c3cc(OC)c(OC)cc3c12.Cl.
What is the InChIKey of methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride?
The InChIKey is FHCRBVQGMZUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4.ClH/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4;/h6-8,19H,5H2,1-4H3;1H.
What are the key properties of methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride?
methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride has a molecular weight of 350.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride is sourced from PubChem (CID 45261899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).