(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone

C15H12BrNO2 — CID 113370510

IUPAC(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H12BrNO2/c16-12-8-10-4-1-2-6-13(10)17-14(12)15(18)11-5-3-7-19-9-11/h1-2,4,6,8-9H,3,5,7H2
InChIKeyAAYMANXECCTKPU-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.87
Rot. Bonds2

About (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone

(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 113370510) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID113370510
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESO=C(C1=COCCC1)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H12BrNO2/c16-12-8-10-4-1-2-6-13(10)17-14(12)15(18)11-5-3-7-19-9-11/h1-2,4,6,8-9H,3,5,7H2
InChIKeyAAYMANXECCTKPU-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 113370510) is (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone is O=C(C1=COCCC1)c1nc2ccccc2cc1Br.
What is the InChIKey of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is AAYMANXECCTKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-8-10-4-1-2-6-13(10)17-14(12)15(18)11-5-3-7-19-9-11/h1-2,4,6,8-9H,3,5,7H2.
What are the key properties of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone?
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 318.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 113370510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).