5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid

C18H25N3O2 — CID 83946523

IUPAC5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid
SMILESCCN1CCc2c(c3cc(C)cc(C(=O)O)c3n2CCCN)C1
InChIInChI=1S/C18H25N3O2/c1-3-20-8-5-16-15(11-20)13-9-12(2)10-14(18(22)23)17(13)21(16)7-4-6-19/h9-10H,3-8,11,19H2,1-2H3,(H,22,23)
InChIKeyVCFKFWVCPIZZBQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.37
Rot. Bonds5

About 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid

5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid (PubChem CID 83946523) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid
PubChem CID83946523
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid
SMILESCCN1CCc2c(c3cc(C)cc(C(=O)O)c3n2CCCN)C1
InChIInChI=1S/C18H25N3O2/c1-3-20-8-5-16-15(11-20)13-9-12(2)10-14(18(22)23)17(13)21(16)7-4-6-19/h9-10H,3-8,11,19H2,1-2H3,(H,22,23)
InChIKeyVCFKFWVCPIZZBQ-UHFFFAOYSA-N
XLogP2.37
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-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

methyl 2-ethyl-5-(3-hydroxypropyl)-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylate
CID 83946522
5-(2-aminoethyl)-2-ethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 83946538
1-(3-aminopropyl)-3-(1-hydroxyethyl)-2,5-dimethylindole-7-carboxylic acid
CID 83964464
9-(3-aminopropyl)-1-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946860
3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
CID 83964390
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
2,3,5-trimethyl-1-propylindole-7-carboxylic acid
CID 83964415
1-(3-aminopropyl)-5-tert-butyl-2-methyl-3-propylindole-7-carboxylic acid
CID 83963762
1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1-(3-aminopropyl)-3-butyl-2-methyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964669

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid?
The IUPAC name of 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid (CID 83946523) is 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid.
What is the SMILES notation for 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid?
The canonical SMILES for 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid is CCN1CCc2c(c3cc(C)cc(C(=O)O)c3n2CCCN)C1.
What is the InChIKey of 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid?
The InChIKey is VCFKFWVCPIZZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-20-8-5-16-15(11-20)13-9-12(2)10-14(18(22)23)17(13)21(16)7-4-6-19/h9-10H,3-8,11,19H2,1-2H3,(H,22,23).
What are the key properties of 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid?
5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid has a molecular weight of 315.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2-ethyl-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-6-carboxylic acid is sourced from PubChem (CID 83946523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).