(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate

C18H15NO3 — CID 664367

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate
SMILESCc1cccc2cc(COC(=O)c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C18H15NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPBAWRQMFTDTJCB-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.19
Rot. Bonds3

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate (PubChem CID 664367) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate
PubChem CID664367
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate
SMILESCc1cccc2cc(COC(=O)c3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C18H15NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyPBAWRQMFTDTJCB-UHFFFAOYSA-N
XLogP3.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl n-acetylanthranilate
CID 17623
Ethyl 4-(benzoylamino)benzoate
CID 12914
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
4-Ethoxycarbonyl-2-quinolone
CID 160782
Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
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
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
CID 664207
phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 747118
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133

Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate (CID 664367) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate is Cc1cccc2cc(COC(=O)c3ccccc3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate?
The InChIKey is PBAWRQMFTDTJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-6-5-9-14-10-15(17(20)19-16(12)14)11-22-18(21)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate has a molecular weight of 293.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl benzoate is sourced from PubChem (CID 664367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).