6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one

C15H13BrClNO2 — CID 63107454

IUPAC6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)c3ccc(Br)o3)ccc21
InChIInChI=1S/C15H13BrClNO2/c1-18-11-4-2-10(8-9(11)3-7-14(18)19)15(17)12-5-6-13(16)20-12/h2,4-6,8,15H,3,7H2,1H3
InChIKeyVGCXUZCXXGIFDW-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.28
Rot. Bonds2

About 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63107454) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63107454
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)c3ccc(Br)o3)ccc21
InChIInChI=1S/C15H13BrClNO2/c1-18-11-4-2-10(8-9(11)3-7-14(18)19)15(17)12-5-6-13(16)20-12/h2,4-6,8,15H,3,7H2,1H3
InChIKeyVGCXUZCXXGIFDW-UHFFFAOYSA-N
XLogP4.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-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-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
6-[(2-bromofuran-3-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 106855636
6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80641053
6-[chloro-(2,5-dichlorothiophen-3-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 107964798
6-[(5-bromofuran-2-yl)-chloromethyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010221
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107266
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-bromo-2,2,3,3-tetrafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 79660832
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 63107454) is 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(Cl)c3ccc(Br)o3)ccc21.
What is the InChIKey of 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is VGCXUZCXXGIFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-18-11-4-2-10(8-9(11)3-7-14(18)19)15(17)12-5-6-13(16)20-12/h2,4-6,8,15H,3,7H2,1H3.
What are the key properties of 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 354.63 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63107454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).