4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid

C24H24N6O4 — CID 170187308

IUPAC4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
SMILESN/C(=C\N(N)c1ccc(C(=O)O)cc1)c1cccc(/C(N)=C/N(N)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C24H24N6O4/c25-21(13-29(27)19-8-4-15(5-9-19)23(31)32)17-2-1-3-18(12-17)22(26)14-30(28)20-10-6-16(7-11-20)24(33)34/h1-14H,25-28H2,(H,31,32)(H,33,34)/b21-13-,22-14-
InChIKeyJQGRKVLEEQZXKH-JZTLMNBPSA-N
MW460.49 g/mol
LogP2.36
Rot. Bonds8

About 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid

4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid (PubChem CID 170187308) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
PubChem CID170187308
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
SMILESN/C(=C\N(N)c1ccc(C(=O)O)cc1)c1cccc(/C(N)=C/N(N)c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C24H24N6O4/c25-21(13-29(27)19-8-4-15(5-9-19)23(31)32)17-2-1-3-18(12-17)22(26)14-30(28)20-10-6-16(7-11-20)24(33)34/h1-14H,25-28H2,(H,31,32)(H,33,34)/b21-13-,22-14-
InChIKeyJQGRKVLEEQZXKH-JZTLMNBPSA-N
XLogP2.36
TPSA185.16 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 52.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic 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-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-methoxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid
CID 170187322
tris(benzene-1,3-dicarboxylic acid);terephthalic acid
CID 173416793
3-[(Z)-1-amino-2-[N-amino-4-[4-methoxycarbonyl-5-(trifluoromethyl)pyrazol-1-yl]anilino]ethenyl]benzoic acid
CID 155443688
4-[amino-[(Z)-2-aminoethenyl]amino]benzoic acid
CID 145139232
4-[4-[6-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]-2-pyridinyl]triazol-1-yl]benzoic acid
CID 170187314
3-[amino(formyl)amino]benzoic acid
CID 174600142
3-carbamoylbenzoic acid
CID 3014284
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729

Frequently Asked Questions

What is the IUPAC name of 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid?
The IUPAC name of 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid (CID 170187308) is 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid.
What is the SMILES notation for 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid?
The canonical SMILES for 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid is N/C(=C\N(N)c1ccc(C(=O)O)cc1)c1cccc(/C(N)=C/N(N)c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid?
The InChIKey is JQGRKVLEEQZXKH-JZTLMNBPSA-N. The full InChI is InChI=1S/C24H24N6O4/c25-21(13-29(27)19-8-4-15(5-9-19)23(31)32)17-2-1-3-18(12-17)22(26)14-30(28)20-10-6-16(7-11-20)24(33)34/h1-14H,25-28H2,(H,31,32)(H,33,34)/b21-13-,22-14-.
What are the key properties of 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid?
4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid has a molecular weight of 460.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-[(Z)-2-amino-2-[3-[(Z)-1-amino-2-(N-amino-4-carboxyanilino)ethenyl]phenyl]ethenyl]amino]benzoic acid is sourced from PubChem (CID 170187308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).