3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one

C20H20N2O2 — CID 44560611

IUPAC3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O
InChIInChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)
InChIKeyKKXPFXBGMGQSMA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.89
Rot. Bonds6

About 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one

3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one (PubChem CID 44560611) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one
PubChem CID44560611
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O
InChIInChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)
InChIKeyKKXPFXBGMGQSMA-UHFFFAOYSA-N
XLogP3.89
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one (CID 44560611) is 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one is CCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O.
What is the InChIKey of 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one?
The InChIKey is KKXPFXBGMGQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24).
What are the key properties of 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one?
3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one has a molecular weight of 320.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyl-6-(pyridin-2-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 44560611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).