3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one

C20H26ClN3O — CID 46224838

IUPAC3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
SMILESNCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1CCCCC1
InChIInChI=1S/C20H26ClN3O/c21-14-6-7-17-16(12-14)15-9-11-24(18(25)8-10-22)20(19(15)23-17)13-4-2-1-3-5-13/h6-7,12-13,20,23H,1-5,8-11,22H2
InChIKeyMUQOWMZMUVGSPN-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.18
Rot. Bonds3

About 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one

3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one (PubChem CID 46224838) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
PubChem CID46224838
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
SMILESNCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1CCCCC1
InChIInChI=1S/C20H26ClN3O/c21-14-6-7-17-16(12-14)15-9-11-24(18(25)8-10-22)20(19(15)23-17)13-4-2-1-3-5-13/h6-7,12-13,20,23H,1-5,8-11,22H2
InChIKeyMUQOWMZMUVGSPN-UHFFFAOYSA-N
XLogP4.18
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-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

EX 527
CID 5113032
Cipargamin
CID 44469321
Jnj-7777120
CID 4908365
ST-1936
CID 9921064
Org27569
CID 44828492
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
Gsk983
CID 11416123
(5-chloro-1H-indol-2-yl)(piperazino)methanone
CID 21638785
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
N-(5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-2,2-dimethyl-propionamide
CID 22849992
Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one,5-chloro-6',7'-difluoro-2',3',4',9'-tetrahydro-3'-methyl-,(1'R,3'S)-
CID 46179405

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one (CID 46224838) is 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one is NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C1CCCCC1.
What is the InChIKey of 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one?
The InChIKey is MUQOWMZMUVGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c21-14-6-7-17-16(12-14)15-9-11-24(18(25)8-10-22)20(19(15)23-17)13-4-2-1-3-5-13/h6-7,12-13,20,23H,1-5,8-11,22H2.
What are the key properties of 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one?
3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one has a molecular weight of 359.90 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one is sourced from PubChem (CID 46224838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).