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

C15H20BrNO — CID 61095920

IUPAC6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)CC(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H20BrNO/c1-15(2,3)9-12(16)10-4-6-13-11(8-10)5-7-14(18)17-13/h4,6,8,12H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyNMMSCXLPGQSGPH-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.44
Rot. Bonds2

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

6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 61095920) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID61095920
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(C)CC(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H20BrNO/c1-15(2,3)9-12(16)10-4-6-13-11(8-10)5-7-14(18)17-13/h4,6,8,12H,5,7,9H2,1-3H3,(H,17,18)
InChIKeyNMMSCXLPGQSGPH-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.44
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-(1-bromo-3-methylpentyl)-3,4-dihydro-1H-quinolin-2-one
CID 114876110
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098523
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
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-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
3-amino-2,2-dimethyl-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanenitrile
CID 116940387

Frequently Asked Questions

What is the IUPAC name of 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one (CID 61095920) is 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one is CC(C)(C)CC(Br)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NMMSCXLPGQSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-15(2,3)9-12(16)10-4-6-13-11(8-10)5-7-14(18)17-13/h4,6,8,12H,5,7,9H2,1-3H3,(H,17,18).
What are the key properties of 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one?
6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 310.24 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 61095920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).