3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine

C18H25N3O — CID 44568286

IUPAC3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c3c(n(CCCN(C)C)c2c1)C(C)=NCC3
InChIInChI=1S/C18H25N3O/c1-13-18-16(8-9-19-13)15-7-6-14(22-4)12-17(15)21(18)11-5-10-20(2)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyVUKPSBWDTNCHJB-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.97
Rot. Bonds5

About 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine

3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine (PubChem CID 44568286) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
PubChem CID44568286
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c3c(n(CCCN(C)C)c2c1)C(C)=NCC3
InChIInChI=1S/C18H25N3O/c1-13-18-16(8-9-19-13)15-7-6-14(22-4)12-17(15)21(18)11-5-10-20(2)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyVUKPSBWDTNCHJB-UHFFFAOYSA-N
XLogP2.97
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine (CID 44568286) is 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine is COc1ccc2c3c(n(CCCN(C)C)c2c1)C(C)=NCC3.
What is the InChIKey of 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is VUKPSBWDTNCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-18-16(8-9-19-13)15-7-6-14(22-4)12-17(15)21(18)11-5-10-20(2)3/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine?
3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 299.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1-methyl-3,4-dihydropyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 44568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).