6-benzyl-3-butanoyl-1H-quinolin-4-one

C20H19NO2 — CID 44560564

IUPAC6-benzyl-3-butanoyl-1H-quinolin-4-one
SMILESCCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)
InChIKeyNAGYYVWENUNCDU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.10
Rot. Bonds5

About 6-benzyl-3-butanoyl-1H-quinolin-4-one

6-benzyl-3-butanoyl-1H-quinolin-4-one (PubChem CID 44560564) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-benzyl-3-butanoyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-benzyl-3-butanoyl-1H-quinolin-4-one
PubChem CID44560564
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6-benzyl-3-butanoyl-1H-quinolin-4-one
SMILESCCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)
InChIKeyNAGYYVWENUNCDU-UHFFFAOYSA-N
XLogP4.10
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxyquinoline
CID 69141
C.I. Solvent Blue 35
CID 3766139
2-Heptyl-4-hydroxyquinoline
CID 164974
Solvent Red 111
CID 6706
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
Shellfish, unspecified
CID 584435
Solvent Blue 14
CID 75847
6-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775088

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-butanoyl-1H-quinolin-4-one?
The IUPAC name of 6-benzyl-3-butanoyl-1H-quinolin-4-one (CID 44560564) is 6-benzyl-3-butanoyl-1H-quinolin-4-one.
What is the SMILES notation for 6-benzyl-3-butanoyl-1H-quinolin-4-one?
The canonical SMILES for 6-benzyl-3-butanoyl-1H-quinolin-4-one is CCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O.
What is the InChIKey of 6-benzyl-3-butanoyl-1H-quinolin-4-one?
The InChIKey is NAGYYVWENUNCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23).
What are the key properties of 6-benzyl-3-butanoyl-1H-quinolin-4-one?
6-benzyl-3-butanoyl-1H-quinolin-4-one has a molecular weight of 305.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-butanoyl-1H-quinolin-4-one is sourced from PubChem (CID 44560564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).