2-N-quinolin-8-yloxybenzene-1,2-diamine

C15H13N3O — CID 101371878

IUPAC2-N-quinolin-8-yloxybenzene-1,2-diamine
SMILESNc1ccccc1NOc1cccc2cccnc12
InChIInChI=1S/C15H13N3O/c16-12-7-1-2-8-13(12)18-19-14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H,16H2
InChIKeyRUNXSRQMQTVROR-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.22
Rot. Bonds3

About 2-N-quinolin-8-yloxybenzene-1,2-diamine

2-N-quinolin-8-yloxybenzene-1,2-diamine (PubChem CID 101371878) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-N-quinolin-8-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-quinolin-8-yloxybenzene-1,2-diamine
PubChem CID101371878
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-N-quinolin-8-yloxybenzene-1,2-diamine
SMILESNc1ccccc1NOc1cccc2cccnc12
InChIInChI=1S/C15H13N3O/c16-12-7-1-2-8-13(12)18-19-14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H,16H2
InChIKeyRUNXSRQMQTVROR-UHFFFAOYSA-N
XLogP3.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-quinolin-8-yloxyquinolin-8-amine
CID 130319854
2-quinolin-8-yloxyethanamine
CID 17174906
ethane;quinolin-8-amine
CID 91158659
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(chloromethoxy)quinoline
CID 79531226
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-quinolin-8-yloxypyridin-3-amine
CID 28890445
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
tri(quinolin-8-yloxy)alumane
CID 16683111
2-methoxy-6-quinolin-8-yloxypyridin-3-amine
CID 43262431

Frequently Asked Questions

What is the IUPAC name of 2-N-quinolin-8-yloxybenzene-1,2-diamine?
The IUPAC name of 2-N-quinolin-8-yloxybenzene-1,2-diamine (CID 101371878) is 2-N-quinolin-8-yloxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-quinolin-8-yloxybenzene-1,2-diamine?
The canonical SMILES for 2-N-quinolin-8-yloxybenzene-1,2-diamine is Nc1ccccc1NOc1cccc2cccnc12.
What is the InChIKey of 2-N-quinolin-8-yloxybenzene-1,2-diamine?
The InChIKey is RUNXSRQMQTVROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-12-7-1-2-8-13(12)18-19-14-9-3-5-11-6-4-10-17-15(11)14/h1-10,18H,16H2.
What are the key properties of 2-N-quinolin-8-yloxybenzene-1,2-diamine?
2-N-quinolin-8-yloxybenzene-1,2-diamine has a molecular weight of 251.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-quinolin-8-yloxybenzene-1,2-diamine is sourced from PubChem (CID 101371878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).