4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine

C19H25N3O — CID 54575718

IUPAC4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCN(C)C)c2c1
InChIInChI=1S/C19H25N3O/c1-14-19-17(9-10-20-14)16-8-7-15(23-4)13-18(16)22(19)12-6-5-11-21(2)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVHNUNRTXGXLCOB-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.85
Rot. Bonds6

About 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine

4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine (PubChem CID 54575718) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine
PubChem CID54575718
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine
SMILESCOc1ccc2c3ccnc(C)c3n(CCCCN(C)C)c2c1
InChIInChI=1S/C19H25N3O/c1-14-19-17(9-10-20-14)16-8-7-15(23-4)13-18(16)22(19)12-6-5-11-21(2)3/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyVHNUNRTXGXLCOB-UHFFFAOYSA-N
XLogP3.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine (CID 54575718) is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine is COc1ccc2c3ccnc(C)c3n(CCCCN(C)C)c2c1.
What is the InChIKey of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is VHNUNRTXGXLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-19-17(9-10-20-14)16-8-7-15(23-4)13-18(16)22(19)12-6-5-11-21(2)3/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine?
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 54575718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).