methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate

C26H24N2O3 — CID 51038931

IUPACmethyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C26H24N2O3/c1-30-26(29)15-18-17-27-23-12-11-19(16-22(18)23)31-14-6-13-28-24-9-4-2-7-20(24)21-8-3-5-10-25(21)28/h2-5,7-12,16-17,27H,6,13-15H2,1H3
InChIKeyYQJRTRCJWDVFRZ-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.46
Rot. Bonds7

About methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate

methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate (PubChem CID 51038931) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate
PubChem CID51038931
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Namemethyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C26H24N2O3/c1-30-26(29)15-18-17-27-23-12-11-19(16-22(18)23)31-14-6-13-28-24-9-4-2-7-20(24)21-8-3-5-10-25(21)28/h2-5,7-12,16-17,27H,6,13-15H2,1H3
InChIKeyYQJRTRCJWDVFRZ-UHFFFAOYSA-N
XLogP5.46
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate 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

5-Methoxyindoleacetic acid
CID 18986
Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
5-Methoxytryptophan
CID 151018
Go 6983
CID 3499
5-(Benzyloxy)tryptamine
CID 89576
4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid
CID 3710
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
Del-22379
CID 11224574
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
N-Acetyl-5-benzyloxytryptamine
CID 563605

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate (CID 51038931) is methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate is COC(=O)Cc1c[nH]c2ccc(OCCCn3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate?
The InChIKey is YQJRTRCJWDVFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-30-26(29)15-18-17-27-23-12-11-19(16-22(18)23)31-14-6-13-28-24-9-4-2-7-20(24)21-8-3-5-10-25(21)28/h2-5,7-12,16-17,27H,6,13-15H2,1H3.
What are the key properties of methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate?
methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate has a molecular weight of 412.49 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(3-carbazol-9-ylpropoxy)-1H-indol-3-yl]acetate is sourced from PubChem (CID 51038931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).