4-[(3-Carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(dipropylamino)-1-quinoxalin-2-ylethanol

HCID 423191

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Basic information

CAS: 25691-70-7
Standard SMILES: CCCN(CCC)CC(O)c1cnc2ccccc2n1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
InChIKey: IXMFUDMTQFNQNT-UHFFFAOYSA-N
Molecular formula: C39H39N3O7
Average molar mass: 661.7 g/mol
Monoisotopic mass: 661.27880059

Names & identifiers

Preferred name: 4-[(3-Carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(dipropylamino)-1-quinoxalin-2-ylethanol
IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;2-(dipropylamino)-1-quinoxalin-2-ylethanol

Names & synonyms

25691-70-7NSC151936DTXSID60329724NSC-1519364,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--2-(dipropylamino)-1-(quinoxalin-2-yl)ethan-1-ol (1/1)

Database identifiers

CAS: 25691-70-7
PubChem CID: 423191
DTXSID: DTXSID60329724

Properties

Computed structural properties

Topological polar surface area: 164 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 11
Heavy atoms: 49
Formal charge: 0
Complexity: 837

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