4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine

C15H10N4O2 — CID 103044010

IUPAC4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(Oc2cccc3ncccc23)c2nonc12
InChIInChI=1S/C15H10N4O2/c16-10-6-7-13(15-14(10)18-21-19-15)20-12-5-1-4-11-9(12)3-2-8-17-11/h1-8H,16H2
InChIKeyWULOTVUWUZLOSC-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.15
Rot. Bonds2

About 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine

4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine (PubChem CID 103044010) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine
PubChem CID103044010
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine
SMILESNc1ccc(Oc2cccc3ncccc23)c2nonc12
InChIInChI=1S/C15H10N4O2/c16-10-6-7-13(15-14(10)18-21-19-15)20-12-5-1-4-11-9(12)3-2-8-17-11/h1-8H,16H2
InChIKeyWULOTVUWUZLOSC-UHFFFAOYSA-N
XLogP3.15
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-quinolin-5-yloxyaniline
CID 103044042
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
4-quinolin-5-yloxypyridin-3-amine
CID 103043914
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
5-(2-iodophenoxy)quinolin-8-amine
CID 43479572
5-pyridin-4-yloxyquinoline
CID 91445201
5-(2,4,5-trichlorophenoxy)quinolin-8-amine
CID 43449630
2-quinolin-5-yloxybenzaldehyde
CID 103045116
2,1,3-benzoxadiazole-4,7-diamine
CID 591590
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine (CID 103044010) is 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine is Nc1ccc(Oc2cccc3ncccc23)c2nonc12.
What is the InChIKey of 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine?
The InChIKey is WULOTVUWUZLOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c16-10-6-7-13(15-14(10)18-21-19-15)20-12-5-1-4-11-9(12)3-2-8-17-11/h1-8H,16H2.
What are the key properties of 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine?
4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine has a molecular weight of 278.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-5-yloxy-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 103044010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).