6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C14H11Br2NO2 — CID 61096119

IUPAC6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)c3ccc(Br)o3)ccc2N1
InChIInChI=1S/C14H11Br2NO2/c15-12-5-4-11(19-12)14(16)9-1-3-10-8(7-9)2-6-13(18)17-10/h1,3-5,7,14H,2,6H2,(H,17,18)
InChIKeySLSHPDNPIOUAAO-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.41
Rot. Bonds2

About 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61096119) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61096119
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Br)c3ccc(Br)o3)ccc2N1
InChIInChI=1S/C14H11Br2NO2/c15-12-5-4-11(19-12)14(16)9-1-3-10-8(7-9)2-6-13(18)17-10/h1,3-5,7,14H,2,6H2,(H,17,18)
InChIKeySLSHPDNPIOUAAO-UHFFFAOYSA-N
XLogP4.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one 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

6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
7-[amino-(5-bromofuran-2-yl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43464756
6-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79996839
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-[bromo-(4-methylsulfanylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79211839
6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
6-[bromo-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096318
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-[bromo-(2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098118
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 61096119) is 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Br)c3ccc(Br)o3)ccc2N1.
What is the InChIKey of 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SLSHPDNPIOUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c15-12-5-4-11(19-12)14(16)9-1-3-10-8(7-9)2-6-13(18)17-10/h1,3-5,7,14H,2,6H2,(H,17,18).
What are the key properties of 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 385.06 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61096119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).