(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate

C24H19NO3 — CID 2784991

IUPAC(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate
SMILESCn1c(=O)c(Cc2ccccc2)c(OC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-25-21-15-9-8-14-19(21)22(28-24(27)18-12-6-3-7-13-18)20(23(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyHHKFMGREUIQYBA-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.35
Rot. Bonds4

About (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate

(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate (PubChem CID 2784991) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate.

Molecular Properties

Compound Name(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate
PubChem CID2784991
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate
SMILESCn1c(=O)c(Cc2ccccc2)c(OC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO3/c1-25-21-15-9-8-14-19(21)22(28-24(27)18-12-6-3-7-13-18)20(23(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyHHKFMGREUIQYBA-UHFFFAOYSA-N
XLogP4.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
2(1H)-Quinolinone, 4-(benzoyloxy)-1-phenyl-
CID 2786126
(2-Oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) benzoate
CID 2786128
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate
CID 2816532
6-benzyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54696637
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756
N-Methylflindersine
CID 72819
11-Ethoxy-5,11-dihydro-5-methyl-6H-dibenz(b,e)azepin-6-one
CID 65662
N-Benzylisatoic anhydride
CID 520756
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate?
The IUPAC name of (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate (CID 2784991) is (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate.
What is the SMILES notation for (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate?
The canonical SMILES for (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate is Cn1c(=O)c(Cc2ccccc2)c(OC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate?
The InChIKey is HHKFMGREUIQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-25-21-15-9-8-14-19(21)22(28-24(27)18-12-6-3-7-13-18)20(23(25)26)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate?
(3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate has a molecular weight of 369.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-methyl-2-oxoquinolin-4-yl) benzoate is sourced from PubChem (CID 2784991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).