methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate

C15H15N3O3 — CID 10541112

IUPACmethyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
SMILESCOC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12-13-10(8-18(7-6-16)14(12)19)9-4-2-3-5-11(9)17-13/h2-5,8,17H,6-7,16H2,1H3
InChIKeySOOCPZIRVCEZOQ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.23
Rot. Bonds3

About methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate

methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate (PubChem CID 10541112) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
PubChem CID10541112
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate
SMILESCOC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12
InChIInChI=1S/C15H15N3O3/c1-21-15(20)12-13-10(8-18(7-6-16)14(12)19)9-4-2-3-5-11(9)17-13/h2-5,8,17H,6-7,16H2,1H3
InChIKeySOOCPZIRVCEZOQ-UHFFFAOYSA-N
XLogP1.23
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate?
The IUPAC name of methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate (CID 10541112) is methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate?
The canonical SMILES for methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate is COC(=O)c1c(=O)n(CCN)cc2c1[nH]c1ccccc12.
What is the InChIKey of methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate?
The InChIKey is SOOCPZIRVCEZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-15(20)12-13-10(8-18(7-6-16)14(12)19)9-4-2-3-5-11(9)17-13/h2-5,8,17H,6-7,16H2,1H3.
What are the key properties of methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate?
methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminoethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxylate is sourced from PubChem (CID 10541112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).