2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine

C16H15N3O — CID 79881637

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(N3CCCc4ccccc43)oc2c1
InChIInChI=1S/C16H15N3O/c17-12-7-8-13-15(10-12)20-16(18-13)19-9-3-5-11-4-1-2-6-14(11)19/h1-2,4,6-8,10H,3,5,9,17H2
InChIKeyPFCZLYGJYIDJOH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.49
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine

2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine (PubChem CID 79881637) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
PubChem CID79881637
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(N3CCCc4ccccc43)oc2c1
InChIInChI=1S/C16H15N3O/c17-12-7-8-13-15(10-12)20-16(18-13)19-9-3-5-11-4-1-2-6-14(11)19/h1-2,4,6-8,10H,3,5,9,17H2
InChIKeyPFCZLYGJYIDJOH-UHFFFAOYSA-N
XLogP3.49
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine (CID 79881637) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine is Nc1ccc2nc(N3CCCc4ccccc43)oc2c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine?
The InChIKey is PFCZLYGJYIDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-12-7-8-13-15(10-12)20-16(18-13)19-9-3-5-11-4-1-2-6-14(11)19/h1-2,4,6-8,10H,3,5,9,17H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine?
2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine has a molecular weight of 265.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79881637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).