8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H23Cl3N2 — CID 147941472

IUPAC8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2CC(C)(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H23Cl3N2/c1-22(2,18-6-4-15(24)11-19(18)25)13-27-20-7-5-14(23)10-16(20)17-12-26(3)9-8-21(17)27/h4-7,10-11H,8-9,12-13H2,1-3H3
InChIKeyILVHEXIZAWYXKU-UHFFFAOYSA-N
MW421.80 g/mol
LogP6.57
Rot. Bonds3

About 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 147941472) has the molecular formula C22H23Cl3N2 and a molecular weight of 421.80 g/mol. Its IUPAC name is 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID147941472
Molecular FormulaC22H23Cl3N2
Molecular Weight421.80 g/mol
Exact Mass420.09
IUPAC Name8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(Cl)ccc3n2CC(C)(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C22H23Cl3N2/c1-22(2,18-6-4-15(24)11-19(18)25)13-27-20-7-5-14(23)10-16(20)17-12-26(3)9-8-21(17)27/h4-7,10-11H,8-9,12-13H2,1-3H3
InChIKeyILVHEXIZAWYXKU-UHFFFAOYSA-N
XLogP6.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.80
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole 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)-1,1-diphenylethanol
CID 59455121
3-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanenitrile
CID 68595185
8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 71141014
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-phenylpropan-2-ol
CID 59368123
1-[4-[(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]phenyl]-2-hydroxyethanone
CID 157324410
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
CID 159792916
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-morpholin-4-ylpropan-2-one
CID 90887102
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
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-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)thiomorpholine
CID 141242879
4-[2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-2-(trifluoromethyl)benzaldehyde
CID 126486158
8-chloro-5-[[2-(4-methoxyphenyl)-1,3-dioxolan-2-yl]methyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 50943985

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 147941472) is 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(C)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ILVHEXIZAWYXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N2/c1-22(2,18-6-4-15(24)11-19(18)25)13-27-20-7-5-14(23)10-16(20)17-12-26(3)9-8-21(17)27/h4-7,10-11H,8-9,12-13H2,1-3H3.
What are the key properties of 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 421.80 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 147941472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).