6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one

C17H15BrClNO — CID 107983452

IUPAC6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1Br
InChIInChI=1S/C17H15BrClNO/c1-10-3-2-4-13(16(10)18)17(19)12-5-7-14-11(9-12)6-8-15(21)20-14/h2-5,7,9,17H,6,8H2,1H3,(H,20,21)
InChIKeyUEBVJSFJSYNXSP-UHFFFAOYSA-N
MW364.67 g/mol
LogP4.97
Rot. Bonds2

About 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107983452) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107983452
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC Name6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1Br
InChIInChI=1S/C17H15BrClNO/c1-10-3-2-4-13(16(10)18)17(19)12-5-7-14-11(9-12)6-8-15(21)20-14/h2-5,7,9,17H,6,8H2,1H3,(H,20,21)
InChIKeyUEBVJSFJSYNXSP-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61086600
6-[chloro-(2,4-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085790
6-[chloro-(2,5-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085170
6-[bromo-(2,3-dimethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098118
6-[chloro-(2,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114374918
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 107981813
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
6-[1-chloro-2-(2-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61084763
6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085173
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one (CID 107983452) is 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(C(Cl)c2ccc3c(c2)CCC(=O)N3)c1Br.
What is the InChIKey of 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UEBVJSFJSYNXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-10-3-2-4-13(16(10)18)17(19)12-5-7-14-11(9-12)6-8-15(21)20-14/h2-5,7,9,17H,6,8H2,1H3,(H,20,21).
What are the key properties of 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 364.67 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107983452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).