2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide

C15H12N2O3 — CID 24892806

IUPAC2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc21
InChIInChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)
InChIKeyYITIUNLDWDJVSI-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.80
Rot. Bonds

About 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide

2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide (PubChem CID 24892806) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide
PubChem CID24892806
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc21
InChIInChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20)
InChIKeyYITIUNLDWDJVSI-UHFFFAOYSA-N
XLogP2.80
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide (CID 24892806) is 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2C=Cc2cc(O)c(O)cc21.
What is the InChIKey of 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is YITIUNLDWDJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-7-13(18)14(19)8-12(10)17/h1-8,18-19H,(H2,16,20).
What are the key properties of 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide?
2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 2.80, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 24892806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).