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

C18H24BrNO — CID 107182214

IUPAC6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCCC1C(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24BrNO/c1-18(2)10-4-3-5-14(18)17(19)13-6-8-15-12(11-13)7-9-16(21)20-15/h6,8,11,14,17H,3-5,7,9-10H2,1-2H3,(H,20,21)
InChIKeyHIIFJSFMKUGMKF-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.22
Rot. Bonds2

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

6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107182214) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID107182214
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCCC1C(Br)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24BrNO/c1-18(2)10-4-3-5-14(18)17(19)13-6-8-15-12(11-13)7-9-16(21)20-15/h6,8,11,14,17H,3-5,7,9-10H2,1-2H3,(H,20,21)
InChIKeyHIIFJSFMKUGMKF-UHFFFAOYSA-N
XLogP5.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-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-[cyclooctyl(hydroxy)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65023228
5-[bromo-(2,2-dimethylcyclopentyl)methyl]-1-methyl-3H-indol-2-one
CID 107182248
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
2-cyclopentyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetic acid
CID 82488767
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-(1-bromo-3,3-dimethylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 61095920
6-[bromo-(4-ethylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61096921
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-chloro-3-cyclohexylpropyl)-3,4-dihydro-1H-quinolin-2-one
CID 63433506

Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 107182214) is 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one is CC1(C)CCCCC1C(Br)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HIIFJSFMKUGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-18(2)10-4-3-5-14(18)17(19)13-6-8-15-12(11-13)7-9-16(21)20-15/h6,8,11,14,17H,3-5,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.30 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(2,2-dimethylcyclohexyl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107182214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).