1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one

C18H22ClN3O2 — CID 70750174

IUPAC1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2/c1-12(21-7-9-24-10-8-21)18(23)22-6-5-16-14(11-22)13-3-2-4-15(19)17(13)20-16/h2-4,12,20H,5-11H2,1H3
InChIKeyIUOHVUUQUQWFNN-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.43
Rot. Bonds2

About 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one

1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 70750174) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID70750174
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1)N1CCOCC1
InChIInChI=1S/C18H22ClN3O2/c1-12(21-7-9-24-10-8-21)18(23)22-6-5-16-14(11-22)13-3-2-4-15(19)17(13)20-16/h2-4,12,20H,5-11H2,1H3
InChIKeyIUOHVUUQUQWFNN-UHFFFAOYSA-N
XLogP2.43
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one 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

(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
CID 70775068
(2S)-2-amino-1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(1H-imidazol-5-yl)propan-1-one
CID 70755477
(2S)-1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(tetrazol-1-yl)propan-1-one
CID 125434025
(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methoxy-4-pyridinyl)methanone
CID 70781886
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)propan-1-one
CID 3466675
(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 95209327
morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
2-ethyl-1-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 110667883
6-chloro-2-propyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335339
(2S)-1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 51583735
1-[3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 46971865
1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42568678

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one (CID 70750174) is 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCc2[nH]c3c(Cl)cccc3c2C1)N1CCOCC1.
What is the InChIKey of 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is IUOHVUUQUQWFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12(21-7-9-24-10-8-21)18(23)22-6-5-16-14(11-22)13-3-2-4-15(19)17(13)20-16/h2-4,12,20H,5-11H2,1H3.
What are the key properties of 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one?
1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 347.85 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 70750174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).