4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide

C22H19N3O4 — CID 139203630

IUPAC4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2ccccc21.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12N2O.C7H7NO3/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;8-4-1-2-5(7(10)11)6(9)3-4/h1-10H,(H2,16,18);1-3,9H,8H2,(H,10,11)
InChIKeyUKNBUAXZYYPYER-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.06
Rot. Bonds1

About 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide

4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide (PubChem CID 139203630) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide
PubChem CID139203630
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide
SMILESNC(=O)N1c2ccccc2C=Cc2ccccc21.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C15H12N2O.C7H7NO3/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;8-4-1-2-5(7(10)11)6(9)3-4/h1-10H,(H2,16,18);1-3,9H,8H2,(H,10,11)
InChIKeyUKNBUAXZYYPYER-UHFFFAOYSA-N
XLogP4.06
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide 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

4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
CID 131855870
CID 131855870
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
4-amino-2-hydroxybenzoic acid;oxolane
CID 174957133
4-aminophenol;2-hydroxybenzoic acid
CID 69191673
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide (CID 139203630) is 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide is NC(=O)N1c2ccccc2C=Cc2ccccc21.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide?
The InChIKey is UKNBUAXZYYPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.C7H7NO3/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;8-4-1-2-5(7(10)11)6(9)3-4/h1-10H,(H2,16,18);1-3,9H,8H2,(H,10,11).
What are the key properties of 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide?
4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 4.06, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;benzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 139203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).