methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate

C16H16N2O3 — CID 155542559

IUPACmethyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate
SMILESCOC(=O)Cn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C16H16N2O3/c1-10-16-13(6-7-17-10)12-5-4-11(20-2)8-14(12)18(16)9-15(19)21-3/h4-8H,9H2,1-3H3
InChIKeyRDBHSCKYWGGFIE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.68
Rot. Bonds3

About methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate

methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate (PubChem CID 155542559) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate
PubChem CID155542559
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate
SMILESCOC(=O)Cn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C16H16N2O3/c1-10-16-13(6-7-17-10)12-5-4-11(20-2)8-14(12)18(16)9-15(19)21-3/h4-8H,9H2,1-3H3
InChIKeyRDBHSCKYWGGFIE-UHFFFAOYSA-N
XLogP2.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate?
The IUPAC name of methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate (CID 155542559) is methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate.
What is the SMILES notation for methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate?
The canonical SMILES for methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate is COC(=O)Cn1c2cc(OC)ccc2c2ccnc(C)c21.
What is the InChIKey of methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate?
The InChIKey is RDBHSCKYWGGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-16-13(6-7-17-10)12-5-4-11(20-2)8-14(12)18(16)9-15(19)21-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate?
methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate has a molecular weight of 284.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetate is sourced from PubChem (CID 155542559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).