3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane

C22H31N3O2 — CID 142493275

IUPAC3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane
SMILESCC.COc1cc2c(cc1OCCCN(C)C)[nH]c1ccnc(C3CC3)c12
InChIInChI=1S/C20H25N3O2.C2H6/c1-23(2)9-4-10-25-18-12-16-14(11-17(18)24-3)19-15(22-16)7-8-21-20(19)13-5-6-13;1-2/h7-8,11-13,22H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyVKMCDLZHUCOBES-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.96
Rot. Bonds7

About 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane

3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane (PubChem CID 142493275) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane.

Molecular Properties

Compound Name3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane
PubChem CID142493275
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane
SMILESCC.COc1cc2c(cc1OCCCN(C)C)[nH]c1ccnc(C3CC3)c12
InChIInChI=1S/C20H25N3O2.C2H6/c1-23(2)9-4-10-25-18-12-16-14(11-17(18)24-3)19-15(22-16)7-8-21-20(19)13-5-6-13;1-2/h7-8,11-13,22H,4-6,9-10H2,1-3H3;1-2H3
InChIKeyVKMCDLZHUCOBES-UHFFFAOYSA-N
XLogP4.96
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.96
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 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane?
The IUPAC name of 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane (CID 142493275) is 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane.
What is the SMILES notation for 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane?
The canonical SMILES for 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane is CC.COc1cc2c(cc1OCCCN(C)C)[nH]c1ccnc(C3CC3)c12.
What is the InChIKey of 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane?
The InChIKey is VKMCDLZHUCOBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.C2H6/c1-23(2)9-4-10-25-18-12-16-14(11-17(18)24-3)19-15(22-16)7-8-21-20(19)13-5-6-13;1-2/h7-8,11-13,22H,4-6,9-10H2,1-3H3;1-2H3.
What are the key properties of 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane?
3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane has a molecular weight of 369.51 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)oxy]-N,N-dimethylpropan-1-amine;ethane is sourced from PubChem (CID 142493275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).