6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one

C21H23NO4 — CID 53324861

IUPAC6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one
SMILESCCCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3n2C)cc1
InChIInChI=1S/C21H23NO4/c1-5-10-26-15-8-6-14(7-9-15)17-12-19(23)16-11-20(24-3)21(25-4)13-18(16)22(17)2/h6-9,11-13H,5,10H2,1-4H3
InChIKeyKCVUBZDLZAEOHG-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.01
Rot. Bonds6

About 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one

6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one (PubChem CID 53324861) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one
PubChem CID53324861
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one
SMILESCCCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3n2C)cc1
InChIInChI=1S/C21H23NO4/c1-5-10-26-15-8-6-14(7-9-15)17-12-19(23)16-11-20(24-3)21(25-4)13-18(16)22(17)2/h6-9,11-13H,5,10H2,1-4H3
InChIKeyKCVUBZDLZAEOHG-UHFFFAOYSA-N
XLogP4.01
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one?
The IUPAC name of 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one (CID 53324861) is 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one?
The canonical SMILES for 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one is CCCOc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3n2C)cc1.
What is the InChIKey of 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one?
The InChIKey is KCVUBZDLZAEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-5-10-26-15-8-6-14(7-9-15)17-12-19(23)16-11-20(24-3)21(25-4)13-18(16)22(17)2/h6-9,11-13H,5,10H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one?
6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one has a molecular weight of 353.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-2-(4-propoxyphenyl)quinolin-4-one is sourced from PubChem (CID 53324861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).