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

C18H23N3O — CID 54575717

IUPAC4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine
SMILESCNCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C18H23N3O/c1-13-18-16(8-10-20-13)15-7-6-14(22-3)12-17(15)21(18)11-5-4-9-19-2/h6-8,10,12,19H,4-5,9,11H2,1-3H3
InChIKeyXPFNENBYZKVRBB-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds6

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

4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine (PubChem CID 54575717) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine
PubChem CID54575717
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine
SMILESCNCCCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C18H23N3O/c1-13-18-16(8-10-20-13)15-7-6-14(22-3)12-17(15)21(18)11-5-4-9-19-2/h6-8,10,12,19H,4-5,9,11H2,1-3H3
InChIKeyXPFNENBYZKVRBB-UHFFFAOYSA-N
XLogP3.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-methylbutan-1-amine?
The IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine (CID 54575717) is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine is CNCCCCn1c2cc(OC)ccc2c2ccnc(C)c21.
What is the InChIKey of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine?
The InChIKey is XPFNENBYZKVRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-18-16(8-10-20-13)15-7-6-14(22-3)12-17(15)21(18)11-5-4-9-19-2/h6-8,10,12,19H,4-5,9,11H2,1-3H3.
What are the key properties of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine?
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-N-methylbutan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 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-methylbutan-1-amine is sourced from PubChem (CID 54575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).