6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one

C11H12BrNO — CID 18382037

IUPAC6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCBr)ccc2N1
InChIInChI=1S/C11H12BrNO/c12-6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14)
InChIKeyMGXQGJMSINCVLV-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.51
Rot. Bonds2

About 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18382037) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID18382037
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCBr)ccc2N1
InChIInChI=1S/C11H12BrNO/c12-6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14)
InChIKeyMGXQGJMSINCVLV-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.51
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-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one (CID 18382037) is 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCBr)ccc2N1.
What is the InChIKey of 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MGXQGJMSINCVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-6-5-8-1-3-10-9(7-8)2-4-11(14)13-10/h1,3,7H,2,4-6H2,(H,13,14).
What are the key properties of 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18382037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).