5,8-dimethoxy-4-propyl-1H-quinolin-2-one

C14H17NO3 — CID 15370073

IUPAC5,8-dimethoxy-4-propyl-1H-quinolin-2-one
SMILESCCCc1cc(=O)[nH]c2c(OC)ccc(OC)c12
InChIInChI=1S/C14H17NO3/c1-4-5-9-8-12(16)15-14-11(18-3)7-6-10(17-2)13(9)14/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyJPDHLFXVVVJREB-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.50
Rot. Bonds4

About 5,8-dimethoxy-4-propyl-1H-quinolin-2-one

5,8-dimethoxy-4-propyl-1H-quinolin-2-one (PubChem CID 15370073) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5,8-dimethoxy-4-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethoxy-4-propyl-1H-quinolin-2-one
PubChem CID15370073
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5,8-dimethoxy-4-propyl-1H-quinolin-2-one
SMILESCCCc1cc(=O)[nH]c2c(OC)ccc(OC)c12
InChIInChI=1S/C14H17NO3/c1-4-5-9-8-12(16)15-14-11(18-3)7-6-10(17-2)13(9)14/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyJPDHLFXVVVJREB-UHFFFAOYSA-N
XLogP2.50
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-4-propyl-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethoxy-4-propyl-1H-quinolin-2-one (CID 15370073) is 5,8-dimethoxy-4-propyl-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethoxy-4-propyl-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethoxy-4-propyl-1H-quinolin-2-one is CCCc1cc(=O)[nH]c2c(OC)ccc(OC)c12.
What is the InChIKey of 5,8-dimethoxy-4-propyl-1H-quinolin-2-one?
The InChIKey is JPDHLFXVVVJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-5-9-8-12(16)15-14-11(18-3)7-6-10(17-2)13(9)14/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 5,8-dimethoxy-4-propyl-1H-quinolin-2-one?
5,8-dimethoxy-4-propyl-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-4-propyl-1H-quinolin-2-one is sourced from PubChem (CID 15370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).