methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate

C15H14N2O2 — CID 6198021

IUPACmethyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCc1nc(C(=O)OC)cc2c1[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3
InChIKeyVPBWRTLHSGJYAL-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.07
Rot. Bonds2

About methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 6198021) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID6198021
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCc1nc(C(=O)OC)cc2c1[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3
InChIKeyVPBWRTLHSGJYAL-UHFFFAOYSA-N
XLogP3.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 6198021) is methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCc1nc(C(=O)OC)cc2c1[nH]c1ccccc12.
What is the InChIKey of methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is VPBWRTLHSGJYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-11-14-10(8-13(16-11)15(18)19-2)9-6-4-5-7-12(9)17-14/h4-8,17H,3H2,1-2H3.
What are the key properties of methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 6198021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).