1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid

C18H21ClN2O2 — CID 18317970

IUPAC1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCCC1
InChIInChI=1S/C18H21ClN2O2/c1-21-9-6-12-13-10-11(19)4-5-14(13)20-15(12)16(21)18(17(22)23)7-2-3-8-18/h4-5,10,16,20H,2-3,6-9H2,1H3,(H,22,23)
InChIKeyQNROLSJEFZGUBZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.00
Rot. Bonds2

About 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid

1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 18317970) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid
PubChem CID18317970
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCCC1
InChIInChI=1S/C18H21ClN2O2/c1-21-9-6-12-13-10-11(19)4-5-14(13)20-15(12)16(21)18(17(22)23)7-2-3-8-18/h4-5,10,16,20H,2-3,6-9H2,1H3,(H,22,23)
InChIKeyQNROLSJEFZGUBZ-UHFFFAOYSA-N
XLogP4.00
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid 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

1-[6-chloro-2-(4-methoxybenzoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]cyclobutane-1-carboxylic acid
CID 70207963
6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
1-[6-chloro-2-(1H-imidazole-5-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]cyclobutane-1-carboxylate
CID 18317870
1-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxamide
CID 18317945
1-(7-chloro-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
CID 141146228
1-[6-bromo-2-(1,2-oxazole-5-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]cyclobutane-1-carboxylic acid
CID 70205154
1-[6-chloro-1-(3-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 59597068
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 45097462
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7074070
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
1-(6-chloro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxylic acid
CID 18317957
1-[(3,5-dichloro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176792

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid (CID 18317970) is 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid is CN1CCc2c([nH]c3ccc(Cl)cc23)C1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QNROLSJEFZGUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21-9-6-12-13-10-11(19)4-5-14(13)20-15(12)16(21)18(17(22)23)7-2-3-8-18/h4-5,10,16,20H,2-3,6-9H2,1H3,(H,22,23).
What are the key properties of 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid?
1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 332.83 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 18317970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).