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

C14H8BrNO2 — CID 106856565

IUPAC(2-bromofuran-3-yl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ccoc1Br
InChIInChI=1S/C14H8BrNO2/c15-14-11(5-6-18-14)13(17)10-7-9-3-1-2-4-12(9)16-8-10/h1-8H
InChIKeyYTDOINVAPXHVMV-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.82
Rot. Bonds2

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

(2-bromofuran-3-yl)-quinolin-3-ylmethanone (PubChem CID 106856565) has the molecular formula C14H8BrNO2 and a molecular weight of 302.13 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-quinolin-3-ylmethanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-quinolin-3-ylmethanone
PubChem CID106856565
Molecular FormulaC14H8BrNO2
Molecular Weight302.13 g/mol
Exact Mass300.97
IUPAC Name(2-bromofuran-3-yl)-quinolin-3-ylmethanone
SMILESO=C(c1cnc2ccccc2c1)c1ccoc1Br
InChIInChI=1S/C14H8BrNO2/c15-14-11(5-6-18-14)13(17)10-7-9-3-1-2-4-12(9)16-8-10/h1-8H
InChIKeyYTDOINVAPXHVMV-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

Analyze (2-bromofuran-3-yl)-quinolin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylfuran-3-yl)-quinolin-3-ylmethanone
CID 104789375
(4-bromo-2-chlorophenyl)-quinolin-3-ylmethanone
CID 114963086
CID 88968554
CID 88968554
(3-bromo-5-methylphenyl)-quinolin-3-ylmethanone
CID 114963114
quinoline-3-carboxylate
CID 4608508
(2-chloro-4-fluorophenyl)-quinolin-3-ylmethanone
CID 62945348
quinoline-3-carboxamide;hydrofluoride
CID 174911514
[2-(aminomethyl)-4-pyridinyl]-quinolin-3-ylmethanone
CID 116601765
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132
(4-methylsulfanylphenyl)-quinolin-3-ylmethanone
CID 114963133
1-quinolin-3-ylprop-2-en-1-one
CID 103453657

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-quinolin-3-ylmethanone?
The IUPAC name of (2-bromofuran-3-yl)-quinolin-3-ylmethanone (CID 106856565) is (2-bromofuran-3-yl)-quinolin-3-ylmethanone.
What is the SMILES notation for (2-bromofuran-3-yl)-quinolin-3-ylmethanone?
The canonical SMILES for (2-bromofuran-3-yl)-quinolin-3-ylmethanone is O=C(c1cnc2ccccc2c1)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-quinolin-3-ylmethanone?
The InChIKey is YTDOINVAPXHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO2/c15-14-11(5-6-18-14)13(17)10-7-9-3-1-2-4-12(9)16-8-10/h1-8H.
What are the key properties of (2-bromofuran-3-yl)-quinolin-3-ylmethanone?
(2-bromofuran-3-yl)-quinolin-3-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 (2-bromofuran-3-yl)-quinolin-3-ylmethanone is sourced from PubChem (CID 106856565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).