4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

C19H20BrNO4 — CID 2973014

IUPAC4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(Br)cc1C1CC(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H20BrNO4/c1-4-25-16-6-5-11(20)7-14(16)12-9-19(22)21-15-10-18(24-3)17(23-2)8-13(12)15/h5-8,10,12H,4,9H2,1-3H3,(H,21,22)
InChIKeyRNJDQDNGNGNRPI-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.34
Rot. Bonds5

About 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one

4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2973014) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2973014
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1ccc(Br)cc1C1CC(=O)Nc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H20BrNO4/c1-4-25-16-6-5-11(20)7-14(16)12-9-19(22)21-15-10-18(24-3)17(23-2)8-13(12)15/h5-8,10,12H,4,9H2,1-3H3,(H,21,22)
InChIKeyRNJDQDNGNGNRPI-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2973014) is 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is CCOc1ccc(Br)cc1C1CC(=O)Nc2cc(OC)c(OC)cc21.
What is the InChIKey of 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RNJDQDNGNGNRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-4-25-16-6-5-11(20)7-14(16)12-9-19(22)21-15-10-18(24-3)17(23-2)8-13(12)15/h5-8,10,12H,4,9H2,1-3H3,(H,21,22).
What are the key properties of 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 406.28 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2973014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).