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

C14H15Cl2N3O — CID 169197119

IUPAC1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C14H15Cl2N3O/c1-17-6-12(20)19-5-4-11-9(7-19)8-2-3-10(15)13(16)14(8)18-11/h2-3,17-18H,4-7H2,1H3
InChIKeyKCGKBZMMSJGBGZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.58
Rot. Bonds2

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

1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone (PubChem CID 169197119) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone
PubChem CID169197119
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C14H15Cl2N3O/c1-17-6-12(20)19-5-4-11-9(7-19)8-2-3-10(15)13(16)14(8)18-11/h2-3,17-18H,4-7H2,1H3
InChIKeyKCGKBZMMSJGBGZ-UHFFFAOYSA-N
XLogP2.58
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone (CID 169197119) is 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone is CNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1.
What is the InChIKey of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone?
The InChIKey is KCGKBZMMSJGBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-17-6-12(20)19-5-4-11-9(7-19)8-2-3-10(15)13(16)14(8)18-11/h2-3,17-18H,4-7H2,1H3.
What are the key properties of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone?
1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone has a molecular weight of 312.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 169197119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).