ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

C17H18N2O4 — CID 13041788

IUPACethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
InChIInChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3
InChIKeyBYMDBFGHCDTBMT-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.05
Rot. Bonds5

About ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13041788) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13041788
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC
InChIInChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3
InChIKeyBYMDBFGHCDTBMT-UHFFFAOYSA-N
XLogP3.05
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13041788) is ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1COC.
What is the InChIKey of ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is BYMDBFGHCDTBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,19H,4,9H2,1-3H3.
What are the key properties of ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13041788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).