6-[4-(dimethylamino)anilino]quinoline-5,8-diol

C17H17N3O2 — CID 135453963

IUPAC6-[4-(dimethylamino)anilino]quinoline-5,8-diol
SMILESCN(C)c1ccc(Nc2cc(O)c3ncccc3c2O)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)12-7-5-11(6-8-12)19-14-10-15(21)16-13(17(14)22)4-3-9-18-16/h3-10,19,21-22H,1-2H3
InChIKeyZALNVBLTXUNJRJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.46
Rot. Bonds3

About 6-[4-(dimethylamino)anilino]quinoline-5,8-diol

6-[4-(dimethylamino)anilino]quinoline-5,8-diol (PubChem CID 135453963) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[4-(dimethylamino)anilino]quinoline-5,8-diol.

Molecular Properties

Compound Name6-[4-(dimethylamino)anilino]quinoline-5,8-diol
PubChem CID135453963
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-[4-(dimethylamino)anilino]quinoline-5,8-diol
SMILESCN(C)c1ccc(Nc2cc(O)c3ncccc3c2O)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)12-7-5-11(6-8-12)19-14-10-15(21)16-13(17(14)22)4-3-9-18-16/h3-10,19,21-22H,1-2H3
InChIKeyZALNVBLTXUNJRJ-UHFFFAOYSA-N
XLogP3.46
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-(1,10-phenanthrolin-5-yl)thiourea
CID 3328210
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
N-[(5,8-dihydroxyquinolin-7-yl)-[4-(dimethylamino)phenyl]methyl]acetamide
CID 176719634
N-[4-(dimethylamino)phenyl]-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200554
4-(4-chloroanilino)quinolin-8-ol
CID 152720293
[2-[4-(dimethylamino)anilino]-5-hydroxy-4-methylphenyl]urea
CID 23341695
5-chloro-6-fluoroquinolin-8-ol
CID 166150236
2-chloro-1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 144618695
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
N-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110475032
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
6-methylquinoline-5,7,8-triol
CID 137159814

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)anilino]quinoline-5,8-diol?
The IUPAC name of 6-[4-(dimethylamino)anilino]quinoline-5,8-diol (CID 135453963) is 6-[4-(dimethylamino)anilino]quinoline-5,8-diol.
What is the SMILES notation for 6-[4-(dimethylamino)anilino]quinoline-5,8-diol?
The canonical SMILES for 6-[4-(dimethylamino)anilino]quinoline-5,8-diol is CN(C)c1ccc(Nc2cc(O)c3ncccc3c2O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)anilino]quinoline-5,8-diol?
The InChIKey is ZALNVBLTXUNJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)12-7-5-11(6-8-12)19-14-10-15(21)16-13(17(14)22)4-3-9-18-16/h3-10,19,21-22H,1-2H3.
What are the key properties of 6-[4-(dimethylamino)anilino]quinoline-5,8-diol?
6-[4-(dimethylamino)anilino]quinoline-5,8-diol has a molecular weight of 295.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)anilino]quinoline-5,8-diol is sourced from PubChem (CID 135453963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).