[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone

C21H18ClN3O2 — CID 10177779

IUPAC[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3ccc3[nH]ccc43)cc2c1
InChIInChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3
InChIKeyZHFAARVXMYJTEZ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.64
Rot. Bonds3

About [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone

[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone (PubChem CID 10177779) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone
PubChem CID10177779
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3ccc3[nH]ccc43)cc2c1
InChIInChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3
InChIKeyZHFAARVXMYJTEZ-UHFFFAOYSA-N
XLogP4.64
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone (CID 10177779) is [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone is COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3ccc3[nH]ccc43)cc2c1.
What is the InChIKey of [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone?
The InChIKey is ZHFAARVXMYJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-14-2-3-16-12(8-14)9-18(24-16)21(26)25-11-13(10-22)20-15-6-7-23-17(15)4-5-19(20)25/h2-9,13,23-24H,10-11H2,1H3.
What are the key properties of [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone?
[8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone has a molecular weight of 379.85 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(chloromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-(5-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 10177779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).