2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione

C20H15NO4 — CID 11674379

IUPAC2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(c1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C20H15NO4/c1-24-16-7-8-17(25-2)19-18(16)15(22)9-12(20(19)23)13-10-21-14-6-4-3-5-11(13)14/h3-10,21H,1-2H3
InChIKeyGAXHBGHUGRHMSD-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.65
Rot. Bonds3

About 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione

2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione (PubChem CID 11674379) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
PubChem CID11674379
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione
SMILESCOc1ccc(OC)c2c1C(=O)C=C(c1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C20H15NO4/c1-24-16-7-8-17(25-2)19-18(16)15(22)9-12(20(19)23)13-10-21-14-6-4-3-5-11(13)14/h3-10,21H,1-2H3
InChIKeyGAXHBGHUGRHMSD-UHFFFAOYSA-N
XLogP3.65
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione 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

2-bromo-5-(1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 174587798
3-(1H-indol-3-yl)-4-methoxybenzoic acid
CID 82039782
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787
5-(3,4-dihydroxy-5-methoxyphenyl)-3-(1H-indol-3-yl)pyrrol-2-one
CID 170990560
3-[(3,4-dimethoxyphenyl)methylideneamino]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 10547472
4-(1H-indol-3-yl)cyclohexa-3,5-diene-1,2-dione
CID 134923817
[2-(1H-indol-3-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53379371
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
2-(2-methoxyphenyl)naphthalene-1,4-dione
CID 71329809
7-methoxy-5H-indeno[2,1-b]indol-6-one
CID 10444743
(2Z)-2-(1H-indol-3-ylmethylidene)-4-methoxy-1-benzofuran-3-one
CID 68557099
2-(1H-indol-3-yl)-3,6-dimethoxy-5-[2-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
CID 163052948

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The IUPAC name of 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione (CID 11674379) is 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione.
What is the SMILES notation for 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The canonical SMILES for 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione is COc1ccc(OC)c2c1C(=O)C=C(c1c[nH]c3ccccc13)C2=O.
What is the InChIKey of 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione?
The InChIKey is GAXHBGHUGRHMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-24-16-7-8-17(25-2)19-18(16)15(22)9-12(20(19)23)13-10-21-14-6-4-3-5-11(13)14/h3-10,21H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione?
2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione has a molecular weight of 333.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-5,8-dimethoxynaphthalene-1,4-dione is sourced from PubChem (CID 11674379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).