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

C20H22BrNO5 — CID 2954653

IUPAC4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1c(Br)cc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H22BrNO5/c1-5-27-20-14(21)6-11(7-18(20)26-4)12-9-19(23)22-15-10-17(25-3)16(24-2)8-13(12)15/h6-8,10,12H,5,9H2,1-4H3,(H,22,23)
InChIKeyVWYFMXLXHAECTE-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.35
Rot. Bonds6

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

4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 2954653) has the molecular formula C20H22BrNO5 and a molecular weight of 436.30 g/mol. Its IUPAC name is 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID2954653
Molecular FormulaC20H22BrNO5
Molecular Weight436.30 g/mol
Exact Mass435.07
IUPAC Name4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCOc1c(Br)cc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC
InChIInChI=1S/C20H22BrNO5/c1-5-27-20-14(21)6-11(7-18(20)26-4)12-9-19(23)22-15-10-17(25-3)16(24-2)8-13(12)15/h6-8,10,12H,5,9H2,1-4H3,(H,22,23)
InChIKeyVWYFMXLXHAECTE-UHFFFAOYSA-N
XLogP4.35
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one (CID 2954653) is 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is CCOc1c(Br)cc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1OC.
What is the InChIKey of 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VWYFMXLXHAECTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO5/c1-5-27-20-14(21)6-11(7-18(20)26-4)12-9-19(23)22-15-10-17(25-3)16(24-2)8-13(12)15/h6-8,10,12H,5,9H2,1-4H3,(H,22,23).
What are the key properties of 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one?
4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 436.30 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 2954653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).