8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid

C19H13N5O5S — CID 146960262

IUPAC8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid
SMILESNc1ccc(/N=N/c2cnc3c(S(=O)(=O)O)cccc3c2)c2ccc(C(=O)O)nc12
InChIInChI=1S/C19H13N5O5S/c20-13-5-7-14(12-4-6-15(19(25)26)22-18(12)13)24-23-11-8-10-2-1-3-16(30(27,28)29)17(10)21-9-11/h1-9H,20H2,(H,25,26)(H,27,28,29)/b24-23+
InChIKeyAKLFKEZLGWWNNE-WCWDXBQESA-N
MW423.41 g/mol
LogP3.73
Rot. Bonds4

About 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid

8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid (PubChem CID 146960262) has the molecular formula C19H13N5O5S and a molecular weight of 423.41 g/mol. Its IUPAC name is 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid
PubChem CID146960262
Molecular FormulaC19H13N5O5S
Molecular Weight423.41 g/mol
Exact Mass423.06
IUPAC Name8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid
SMILESNc1ccc(/N=N/c2cnc3c(S(=O)(=O)O)cccc3c2)c2ccc(C(=O)O)nc12
InChIInChI=1S/C19H13N5O5S/c20-13-5-7-14(12-4-6-15(19(25)26)22-18(12)13)24-23-11-8-10-2-1-3-16(30(27,28)29)17(10)21-9-11/h1-9H,20H2,(H,25,26)(H,27,28,29)/b24-23+
InChIKeyAKLFKEZLGWWNNE-WCWDXBQESA-N
XLogP3.73
TPSA168.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid 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-[(8-amino-2-methylquinolin-5-yl)diazenyl]benzenesulfonic acid
CID 141240071
5-phenyldiazenyl-8-sulfanylquinoline-2-carboxylic acid
CID 154364142
3-[(8-aminoquinolin-5-yl)diazenyl]benzoic acid
CID 71344750
5-amino-8-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid
CID 88888450
5-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1-sulfonic acid
CID 148930754
8-amino-4-hydroxy-5-[[4-[[5-hydroxy-7-sulfo-4-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 162697049
8-amino-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87409528
CID 170845569
CID 170845569
5-amino-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 87411050
5-[(3-amino-4-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135665142
9-carboxy-5-sulfo-1,10-phenanthroline-2-carboxylate
CID 143413973
5-[(2,4-diaminophenyl)diazenyl]naphthalene-1-sulfonic acid
CID 165363379

Frequently Asked Questions

What is the IUPAC name of 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid?
The IUPAC name of 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid (CID 146960262) is 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid.
What is the SMILES notation for 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid?
The canonical SMILES for 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid is Nc1ccc(/N=N/c2cnc3c(S(=O)(=O)O)cccc3c2)c2ccc(C(=O)O)nc12.
What is the InChIKey of 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid?
The InChIKey is AKLFKEZLGWWNNE-WCWDXBQESA-N. The full InChI is InChI=1S/C19H13N5O5S/c20-13-5-7-14(12-4-6-15(19(25)26)22-18(12)13)24-23-11-8-10-2-1-3-16(30(27,28)29)17(10)21-9-11/h1-9H,20H2,(H,25,26)(H,27,28,29)/b24-23+.
What are the key properties of 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid?
8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid has a molecular weight of 423.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-[(8-sulfoquinolin-3-yl)diazenyl]quinoline-2-carboxylic acid is sourced from PubChem (CID 146960262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).