2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane

C15H19Cl2N3O — CID 169197027

IUPAC2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane
SMILESCC.NCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C13H13Cl2N3O.C2H6/c14-9-2-1-7-8-6-18(11(19)5-16)4-3-10(8)17-13(7)12(9)15;1-2/h1-2,17H,3-6,16H2;1-2H3
InChIKeyOGGDHPYEGCZBFT-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.34
Rot. Bonds1

About 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane

2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane (PubChem CID 169197027) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane.

Molecular Properties

Compound Name2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane
PubChem CID169197027
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane
SMILESCC.NCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C13H13Cl2N3O.C2H6/c14-9-2-1-7-8-6-18(11(19)5-16)4-3-10(8)17-13(7)12(9)15;1-2/h1-2,17H,3-6,16H2;1-2H3
InChIKeyOGGDHPYEGCZBFT-UHFFFAOYSA-N
XLogP3.34
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane?
The IUPAC name of 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane (CID 169197027) is 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane.
What is the SMILES notation for 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane?
The canonical SMILES for 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane is CC.NCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1.
What is the InChIKey of 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane?
The InChIKey is OGGDHPYEGCZBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O.C2H6/c14-9-2-1-7-8-6-18(11(19)5-16)4-3-10(8)17-13(7)12(9)15;1-2/h1-2,17H,3-6,16H2;1-2H3.
What are the key properties of 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane?
2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane has a molecular weight of 328.24 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone;ethane is sourced from PubChem (CID 169197027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).