1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one

C17H16BrNO — CID 126572991

IUPAC1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
SMILESCc1cc(Br)cc2c1N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C17H16BrNO/c1-12-9-15(18)10-14-7-8-16(20)19(17(12)14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGANIRESYKUVXJC-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.24
Rot. Bonds2

About 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one

1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one (PubChem CID 126572991) has the molecular formula C17H16BrNO and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
PubChem CID126572991
Molecular FormulaC17H16BrNO
Molecular Weight330.22 g/mol
Exact Mass329.04
IUPAC Name1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one
SMILESCc1cc(Br)cc2c1N(Cc1ccccc1)C(=O)CC2
InChIInChI=1S/C17H16BrNO/c1-12-9-15(18)10-14-7-8-16(20)19(17(12)14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3
InChIKeyGANIRESYKUVXJC-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one (CID 126572991) is 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one is Cc1cc(Br)cc2c1N(Cc1ccccc1)C(=O)CC2.
What is the InChIKey of 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GANIRESYKUVXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-12-9-15(18)10-14-7-8-16(20)19(17(12)14)11-13-5-3-2-4-6-13/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one?
1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 330.22 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromo-8-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 126572991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).