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

C17H18N2O3 — CID 13141161

IUPACethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1CC
InChIInChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3
InChIKeyXDGJAPOJCWYAQV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.46
Rot. Bonds4

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

ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 13141161) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID13141161
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1CC
InChIInChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3
InChIKeyXDGJAPOJCWYAQV-UHFFFAOYSA-N
XLogP3.46
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate (CID 13141161) is ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate is CCOC(=O)c1ncc2[nH]c3ccc(OC)cc3c2c1CC.
What is the InChIKey of ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is XDGJAPOJCWYAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,19H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate?
ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 13141161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).