2-benzyl-3-butyl-1H-quinolin-4-one

C20H21NO — CID 131850780

IUPAC2-benzyl-3-butyl-1H-quinolin-4-one
SMILESCCCCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H21NO/c1-2-3-11-17-19(14-15-9-5-4-6-10-15)21-18-13-8-7-12-16(18)20(17)22/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,22)
InChIKeyLCZXJGUSYFULKL-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.46
Rot. Bonds5

About 2-benzyl-3-butyl-1H-quinolin-4-one

2-benzyl-3-butyl-1H-quinolin-4-one (PubChem CID 131850780) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-benzyl-3-butyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-butyl-1H-quinolin-4-one
PubChem CID131850780
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name2-benzyl-3-butyl-1H-quinolin-4-one
SMILESCCCCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C20H21NO/c1-2-3-11-17-19(14-15-9-5-4-6-10-15)21-18-13-8-7-12-16(18)20(17)22/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,22)
InChIKeyLCZXJGUSYFULKL-UHFFFAOYSA-N
XLogP4.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-butyl-1H-quinolin-4-one?
The IUPAC name of 2-benzyl-3-butyl-1H-quinolin-4-one (CID 131850780) is 2-benzyl-3-butyl-1H-quinolin-4-one.
What is the SMILES notation for 2-benzyl-3-butyl-1H-quinolin-4-one?
The canonical SMILES for 2-benzyl-3-butyl-1H-quinolin-4-one is CCCCc1c(Cc2ccccc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-benzyl-3-butyl-1H-quinolin-4-one?
The InChIKey is LCZXJGUSYFULKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-3-11-17-19(14-15-9-5-4-6-10-15)21-18-13-8-7-12-16(18)20(17)22/h4-10,12-13H,2-3,11,14H2,1H3,(H,21,22).
What are the key properties of 2-benzyl-3-butyl-1H-quinolin-4-one?
2-benzyl-3-butyl-1H-quinolin-4-one has a molecular weight of 291.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-butyl-1H-quinolin-4-one is sourced from PubChem (CID 131850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).