4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C18H18BrNO3 — CID 17312454

IUPAC4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccc(C)c(Br)c1)CC(=O)N2
InChIInChI=1S/C18H18BrNO3/c1-10-4-5-11(6-14(10)19)13-9-17(21)20-15-7-12(22-2)8-16(23-3)18(13)15/h4-8,13H,9H2,1-3H3,(H,20,21)
InChIKeyNNUXRZKILZWAQQ-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.25
Rot. Bonds3

About 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 17312454) has the molecular formula C18H18BrNO3 and a molecular weight of 376.25 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID17312454
Molecular FormulaC18H18BrNO3
Molecular Weight376.25 g/mol
Exact Mass375.05
IUPAC Name4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(c(OC)c1)C(c1ccc(C)c(Br)c1)CC(=O)N2
InChIInChI=1S/C18H18BrNO3/c1-10-4-5-11(6-14(10)19)13-9-17(21)20-15-7-12(22-2)8-16(23-3)18(13)15/h4-8,13H,9H2,1-3H3,(H,20,21)
InChIKeyNNUXRZKILZWAQQ-UHFFFAOYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 17312454) is 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(c(OC)c1)C(c1ccc(C)c(Br)c1)CC(=O)N2.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NNUXRZKILZWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO3/c1-10-4-5-11(6-14(10)19)13-9-17(21)20-15-7-12(22-2)8-16(23-3)18(13)15/h4-8,13H,9H2,1-3H3,(H,20,21).
What are the key properties of 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 376.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 17312454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).