(3-bromofuran-2-yl)-quinolin-5-ylmethanone

C14H8BrNO2 — CID 105101672

IUPAC(3-bromofuran-2-yl)-quinolin-5-ylmethanone
SMILESO=C(c1occc1Br)c1cccc2ncccc12
InChIInChI=1S/C14H8BrNO2/c15-11-6-8-18-14(11)13(17)10-3-1-5-12-9(10)4-2-7-16-12/h1-8H
InChIKeyBXUXQDXXSSUNAP-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.82
Rot. Bonds2

About (3-bromofuran-2-yl)-quinolin-5-ylmethanone

(3-bromofuran-2-yl)-quinolin-5-ylmethanone (PubChem CID 105101672) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-quinolin-5-ylmethanone
PubChem CID105101672
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name(3-bromofuran-2-yl)-quinolin-5-ylmethanone
SMILESO=C(c1occc1Br)c1cccc2ncccc12
InChIInChI=1S/C14H8BrNO2/c15-11-6-8-18-14(11)13(17)10-3-1-5-12-9(10)4-2-7-16-12/h1-8H
InChIKeyBXUXQDXXSSUNAP-UHFFFAOYSA-N
XLogP3.82
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(3-bromo-2-fluorophenyl)-quinolin-4-ylmethanone
CID 106647422
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
(4-bromo-2-methoxyphenyl)-quinolin-5-ylmethanone
CID 115789920
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-quinolin-5-ylmethanone?
The IUPAC name of (3-bromofuran-2-yl)-quinolin-5-ylmethanone (CID 105101672) is (3-bromofuran-2-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-bromofuran-2-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-bromofuran-2-yl)-quinolin-5-ylmethanone is O=C(c1occc1Br)c1cccc2ncccc12.
What is the InChIKey of (3-bromofuran-2-yl)-quinolin-5-ylmethanone?
The InChIKey is BXUXQDXXSSUNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-11-6-8-18-14(11)13(17)10-3-1-5-12-9(10)4-2-7-16-12/h1-8H.
What are the key properties of (3-bromofuran-2-yl)-quinolin-5-ylmethanone?
(3-bromofuran-2-yl)-quinolin-5-ylmethanone has a molecular weight of 302.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 105101672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).