(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone

C15H20N2O2 — CID 82705671

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
SMILESNc1cccc2c1CCCN2C(=O)C1CCCOC1
InChIInChI=1S/C15H20N2O2/c16-13-6-1-7-14-12(13)5-2-8-17(14)15(18)11-4-3-9-19-10-11/h1,6-7,11H,2-5,8-10,16H2
InChIKeyMYZDQLGDXAZUCA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.97
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone (PubChem CID 82705671) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
PubChem CID82705671
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone
SMILESNc1cccc2c1CCCN2C(=O)C1CCCOC1
InChIInChI=1S/C15H20N2O2/c16-13-6-1-7-14-12(13)5-2-8-17(14)15(18)11-4-3-9-19-10-11/h1,6-7,11H,2-5,8-10,16H2
InChIKeyMYZDQLGDXAZUCA-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone (CID 82705671) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone is Nc1cccc2c1CCCN2C(=O)C1CCCOC1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
The InChIKey is MYZDQLGDXAZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-6-1-7-14-12(13)5-2-8-17(14)15(18)11-4-3-9-19-10-11/h1,6-7,11H,2-5,8-10,16H2.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(oxan-3-yl)methanone is sourced from PubChem (CID 82705671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).