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

C16H19Cl2N3O2 — CID 169197001

IUPAC1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C16H19Cl2N3O2/c1-23-7-5-19-8-14(22)21-6-4-13-11(9-21)10-2-3-12(17)15(18)16(10)20-13/h2-3,19-20H,4-9H2,1H3
InChIKeyDTJUHGSHDBNZLE-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.60
Rot. Bonds5

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

1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 169197001) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID169197001
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCc2[nH]c3c(Cl)c(Cl)ccc3c2C1
InChIInChI=1S/C16H19Cl2N3O2/c1-23-7-5-19-8-14(22)21-6-4-13-11(9-21)10-2-3-12(17)15(18)16(10)20-13/h2-3,19-20H,4-9H2,1H3
InChIKeyDTJUHGSHDBNZLE-UHFFFAOYSA-N
XLogP2.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

(s)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666990
(2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethyl piperidin-4-yl)-2,4-pentadienamide
CID 9890618
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[3-(diethylamino)propyl]-2-methoxypenta-2,4-dienamide
CID 9979752
(2E,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)penta-2,4-dienamide
CID 11510991
(2Z,4E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
CID 22397580
(2Z,4Z)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)penta-2,4-dienamide
CID 44346597
1-{6,8-dichloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-methoxyethan-1-one
CID 51092096
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)penta-2,4-dienamide
CID 9803809
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[2-(diethylamino)ethyl]-2-methoxypenta-2,4-dienamide
CID 44533114
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]penta-2,4-dienamide
CID 44533166
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]penta-2,4-dienamide
CID 44533167
(2Z,4E)-N-[3-(4-benzylpiperazin-1-yl)propyl]-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
CID 44533380

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-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone (CID 169197001) is 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=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-(2-methoxyethylamino)ethanone?
The InChIKey is DTJUHGSHDBNZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-23-7-5-19-8-14(22)21-6-4-13-11(9-21)10-2-3-12(17)15(18)16(10)20-13/h2-3,19-20H,4-9H2,1H3.
What are the key properties of 1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone?
1-(6,7-dichloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 356.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 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-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 169197001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).