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

C14H12BrNO2 — CID 762667

IUPAC(5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCc2ccccc21
InChIInChI=1S/C14H12BrNO2/c15-13-8-7-12(18-13)14(17)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6-8H,3,5,9H2
InChIKeyJDOAQSKYIXMEOP-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.64
Rot. Bonds1

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

(5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 762667) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID762667
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name(5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCc2ccccc21
InChIInChI=1S/C14H12BrNO2/c15-13-8-7-12(18-13)14(17)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6-8H,3,5,9H2
InChIKeyJDOAQSKYIXMEOP-UHFFFAOYSA-N
XLogP3.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 762667) is (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCCc2ccccc21.
What is the InChIKey of (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is JDOAQSKYIXMEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-13-8-7-12(18-13)14(17)16-9-3-5-10-4-1-2-6-11(10)16/h1-2,4,6-8H,3,5,9H2.
What are the key properties of (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 306.16 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 762667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).