2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine

C17H21N3O — CID 90460342

IUPAC2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine
SMILESCOc1cc(C)c2c3ccncc3n(CCN(C)C)c2c1
InChIInChI=1S/C17H21N3O/c1-12-9-13(21-4)10-15-17(12)14-5-6-18-11-16(14)20(15)8-7-19(2)3/h5-6,9-11H,7-8H2,1-4H3
InChIKeyBVEJFAMJKQSKDU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.07
Rot. Bonds4

About 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine

2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine (PubChem CID 90460342) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine
PubChem CID90460342
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine
SMILESCOc1cc(C)c2c3ccncc3n(CCN(C)C)c2c1
InChIInChI=1S/C17H21N3O/c1-12-9-13(21-4)10-15-17(12)14-5-6-18-11-16(14)20(15)8-7-19(2)3/h5-6,9-11H,7-8H2,1-4H3
InChIKeyBVEJFAMJKQSKDU-UHFFFAOYSA-N
XLogP3.07
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine (CID 90460342) is 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine is COc1cc(C)c2c3ccncc3n(CCN(C)C)c2c1.
What is the InChIKey of 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine?
The InChIKey is BVEJFAMJKQSKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-9-13(21-4)10-15-17(12)14-5-6-18-11-16(14)20(15)8-7-19(2)3/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine?
2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 90460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).