6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

C17H22BrNO — CID 107182391

IUPAC6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC1CCCC1C(Br)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C17H22BrNO/c1-11-4-3-5-14(11)17(18)13-6-8-15-12(10-13)7-9-16(20)19(15)2/h6,8,10-11,14,17H,3-5,7,9H2,1-2H3
InChIKeyLHAILRPTIRWQGS-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.47
Rot. Bonds2

About 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 107182391) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID107182391
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC1CCCC1C(Br)c1ccc2c(c1)CCC(=O)N2C
InChIInChI=1S/C17H22BrNO/c1-11-4-3-5-14(11)17(18)13-6-8-15-12(10-13)7-9-16(20)19(15)2/h6,8,10-11,14,17H,3-5,7,9H2,1-2H3
InChIKeyLHAILRPTIRWQGS-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 107182391) is 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is CC1CCCC1C(Br)c1ccc2c(c1)CCC(=O)N2C.
What is the InChIKey of 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is LHAILRPTIRWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-11-4-3-5-14(11)17(18)13-6-8-15-12(10-13)7-9-16(20)19(15)2/h6,8,10-11,14,17H,3-5,7,9H2,1-2H3.
What are the key properties of 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 336.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo-(2-methylcyclopentyl)methyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 107182391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).