2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one

C19H19NO5 — CID 44531244

IUPAC2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(-c3ccc(O)cc3)c(C)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-10-16(11-5-7-12(21)8-6-11)20-13-9-14(23-2)18(24-3)19(25-4)15(13)17(10)22/h5-9,21H,1-4H3,(H,20,22)
InChIKeyDMJYPOGMGWNKLQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.23
Rot. Bonds4

About 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one

2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one (PubChem CID 44531244) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one
PubChem CID44531244
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one
SMILESCOc1cc2[nH]c(-c3ccc(O)cc3)c(C)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H19NO5/c1-10-16(11-5-7-12(21)8-6-11)20-13-9-14(23-2)18(24-3)19(25-4)15(13)17(10)22/h5-9,21H,1-4H3,(H,20,22)
InChIKeyDMJYPOGMGWNKLQ-UHFFFAOYSA-N
XLogP3.23
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one (CID 44531244) is 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one is COc1cc2[nH]c(-c3ccc(O)cc3)c(C)c(=O)c2c(OC)c1OC.
What is the InChIKey of 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one?
The InChIKey is DMJYPOGMGWNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-10-16(11-5-7-12(21)8-6-11)20-13-9-14(23-2)18(24-3)19(25-4)15(13)17(10)22/h5-9,21H,1-4H3,(H,20,22).
What are the key properties of 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one?
2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one has a molecular weight of 341.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5,6,7-trimethoxy-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 44531244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).