4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione

C16H9NO4 — CID 157211379

IUPAC4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC=N3
InChIInChI=1S/C16H9NO4/c18-13-7-3-1-2-4-8(7)14(19)11-10(13)15(20)9-5-6-17-12(9)16(11)21/h1-4,6,20-21H,5H2
InChIKeyGTKKGPRFJBCMKB-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.13
Rot. Bonds

About 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione

4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione (PubChem CID 157211379) has the molecular formula C16H9NO4 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione.

Molecular Properties

Compound Name4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione
PubChem CID157211379
Molecular FormulaC16H9NO4
Molecular Weight279.25 g/mol
Exact Mass279.05
IUPAC Name4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC=N3
InChIInChI=1S/C16H9NO4/c18-13-7-3-1-2-4-8(7)14(19)11-10(13)15(20)9-5-6-17-12(9)16(11)21/h1-4,6,20-21H,5H2
InChIKeyGTKKGPRFJBCMKB-UHFFFAOYSA-N
XLogP2.13
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione?
The IUPAC name of 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione (CID 157211379) is 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione.
What is the SMILES notation for 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione?
The canonical SMILES for 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione is O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC=N3.
What is the InChIKey of 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione?
The InChIKey is GTKKGPRFJBCMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO4/c18-13-7-3-1-2-4-8(7)14(19)11-10(13)15(20)9-5-6-17-12(9)16(11)21/h1-4,6,20-21H,5H2.
What are the key properties of 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione?
4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione has a molecular weight of 279.25 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dihydroxy-3H-naphtho[2,3-f]indole-5,10-dione is sourced from PubChem (CID 157211379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).