1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C19H19ClN2 — CID 11738439

IUPAC1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CCN(C)C3c1ccccc1Cl
InChIInChI=1S/C19H19ClN2/c1-12-7-8-17-15(11-12)13-9-10-22(2)19(18(13)21-17)14-5-3-4-6-16(14)20/h3-8,11,19,21H,9-10H2,1-2H3
InChIKeyMHEURGKOVNSIMH-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.71
Rot. Bonds1

About 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 11738439) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID11738439
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCc1ccc2[nH]c3c(c2c1)CCN(C)C3c1ccccc1Cl
InChIInChI=1S/C19H19ClN2/c1-12-7-8-17-15(11-12)13-9-10-22(2)19(18(13)21-17)14-5-3-4-6-16(14)20/h3-8,11,19,21H,9-10H2,1-2H3
InChIKeyMHEURGKOVNSIMH-UHFFFAOYSA-N
XLogP4.71
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 143848673
1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;ethane;prop-1-ene
CID 143848672
(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82391010
2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496012
6-chloro-1-(2-chlorophenyl)-2-(3-ethoxyoxiran-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 123849864
2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427
[1-(2-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(6-methyl-2-pyridinyl)methanone
CID 45196114
(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 29002297
(2-chlorophenyl)-[(1S)-1-(3-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 92502306
1-(2,5-dimethylphenyl)-6-hydroxy-5-(2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)pyrimidine-2,4-dione
CID 4869897

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 11738439) is 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is Cc1ccc2[nH]c3c(c2c1)CCN(C)C3c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is MHEURGKOVNSIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-12-7-8-17-15(11-12)13-9-10-22(2)19(18(13)21-17)14-5-3-4-6-16(14)20/h3-8,11,19,21H,9-10H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 310.83 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 11738439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).