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

C16H13BrClNO — CID 61086600

IUPAC6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3ccccc3Br)ccc2N1
InChIInChI=1S/C16H13BrClNO/c17-13-4-2-1-3-12(13)16(18)11-5-7-14-10(9-11)6-8-15(20)19-14/h1-5,7,9,16H,6,8H2,(H,19,20)
InChIKeyLQEVUBATFVFBBM-UHFFFAOYSA-N
MW350.64 g/mol
LogP4.66
Rot. Bonds2

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

6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61086600) has the molecular formula C16H13BrClNO and a molecular weight of 350.64 g/mol. Its IUPAC name is 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID61086600
Molecular FormulaC16H13BrClNO
Molecular Weight350.64 g/mol
Exact Mass348.99
IUPAC Name6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(Cl)c3ccccc3Br)ccc2N1
InChIInChI=1S/C16H13BrClNO/c17-13-4-2-1-3-12(13)16(18)11-5-7-14-10(9-11)6-8-15(20)19-14/h1-5,7,9,16H,6,8H2,(H,19,20)
InChIKeyLQEVUBATFVFBBM-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 54.66
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-[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
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107983452
6-[(3-bromo-4-fluorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107955914
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-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one (CID 61086600) is 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(Cl)c3ccccc3Br)ccc2N1.
What is the InChIKey of 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LQEVUBATFVFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO/c17-13-4-2-1-3-12(13)16(18)11-5-7-14-10(9-11)6-8-15(20)19-14/h1-5,7,9,16H,6,8H2,(H,19,20).
What are the key properties of 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.64 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61086600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).