(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol

C15H14BrNO2 — CID 102654812

IUPAC(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H14BrNO2/c16-11-9-10-5-1-2-6-12(10)17-14(11)15(18)13-7-3-4-8-19-13/h1-2,5-7,9,15,18H,3-4,8H2
InChIKeyPKHWAYSAKGIHMO-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.72
Rot. Bonds2

About (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol

(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102654812) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102654812
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESOC(C1=CCCCO1)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H14BrNO2/c16-11-9-10-5-1-2-6-12(10)17-14(11)15(18)13-7-3-4-8-19-13/h1-2,5-7,9,15,18H,3-4,8H2
InChIKeyPKHWAYSAKGIHMO-UHFFFAOYSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-6-yl)methanol?
The IUPAC name of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102654812) is (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol is OC(C1=CCCCO1)c1nc2ccccc2cc1Br.
What is the InChIKey of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is PKHWAYSAKGIHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-11-9-10-5-1-2-6-12(10)17-14(11)15(18)13-7-3-4-8-19-13/h1-2,5-7,9,15,18H,3-4,8H2.
What are the key properties of (3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 320.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 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-6-yl)methanol is sourced from PubChem (CID 102654812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).