(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H15Br2NO — CID 107951713

IUPAC(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(Br)cc1Br)CCC2
InChIInChI=1S/C17H15Br2NO/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(18)10-15(14)19/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyLIAJXZNGFDESOR-UHFFFAOYSA-N
MW409.12 g/mol
LogP5.11
Rot. Bonds1

About (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 107951713) has the molecular formula C17H15Br2NO and a molecular weight of 409.12 g/mol. Its IUPAC name is (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID107951713
Molecular FormulaC17H15Br2NO
Molecular Weight409.12 g/mol
Exact Mass406.95
IUPAC Name(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(Br)cc1Br)CCC2
InChIInChI=1S/C17H15Br2NO/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(18)10-15(14)19/h2,4-5,7-8,10H,3,6,9H2,1H3
InChIKeyLIAJXZNGFDESOR-UHFFFAOYSA-N
XLogP5.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.12
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 107951713) is (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1ccc(Br)cc1Br)CCC2.
What is the InChIKey of (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is LIAJXZNGFDESOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Br2NO/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(18)10-15(14)19/h2,4-5,7-8,10H,3,6,9H2,1H3.
What are the key properties of (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 409.12 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 107951713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).