2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane

C21H24ClFN2O — CID 161327447

IUPAC2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane
SMILESC.CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1
InChIInChI=1S/C20H20ClFN2O.CH4/c1-23-9-8-14-16-10-13(21)6-7-18(16)24(19(14)11-23)12-20(25)15-4-2-3-5-17(15)22;/h2-7,10,20,25H,8-9,11-12H2,1H3;1H4
InChIKeyVKYLQQYATSKCLC-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.79
Rot. Bonds3

About 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane (PubChem CID 161327447) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane
PubChem CID161327447
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane
SMILESC.CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1
InChIInChI=1S/C20H20ClFN2O.CH4/c1-23-9-8-14-16-10-13(21)6-7-18(16)24(19(14)11-23)12-20(25)15-4-2-3-5-17(15)22;/h2-7,10,20,25H,8-9,11-12H2,1H3;1H4
InChIKeyVKYLQQYATSKCLC-UHFFFAOYSA-N
XLogP4.79
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane 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

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(4-fluorocyclohexa-1,2,3,5-tetraen-1-yl)ethanol
CID 87469443
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-4-ylethanol
CID 59368152
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-3-ylethanol
CID 59368236
8-chloro-5-[[2-(2-fluorophenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 50943982
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanol
CID 59368446
4-[2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-2-(trifluoromethyl)benzaldehyde
CID 126486158
propan-2-yl 4-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-3-(6-methyl-3-pyridinyl)butanoate
CID 51035942
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-(4-fluorophenyl)ethanone
CID 59368241
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-phenylpropan-2-ol
CID 59368123
6-chloro-9-[2-(4-fluorophenyl)prop-1-enyl]-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole
CID 66911702
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1,1-diphenylethanol
CID 59455121
1-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 171343794

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane?
The IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane (CID 161327447) is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane.
What is the SMILES notation for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane?
The canonical SMILES for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane is C.CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1.
What is the InChIKey of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane?
The InChIKey is VKYLQQYATSKCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O.CH4/c1-23-9-8-14-16-10-13(21)6-7-18(16)24(19(14)11-23)12-20(25)15-4-2-3-5-17(15)22;/h2-7,10,20,25H,8-9,11-12H2,1H3;1H4.
What are the key properties of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane?
2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane has a molecular weight of 374.89 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;methane is sourced from PubChem (CID 161327447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).