(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate

C18H15NO3 — CID 663870

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-6-8-13(9-7-12)18(21)22-11-15-10-14-4-2-3-5-16(14)19-17(15)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyHITKKSYBGXWNOF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.19
Rot. Bonds3

About (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate

(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate (PubChem CID 663870) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate
PubChem CID663870
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H15NO3/c1-12-6-8-13(9-7-12)18(21)22-11-15-10-14-4-2-3-5-16(14)19-17(15)20/h2-10H,11H2,1H3,(H,19,20)
InChIKeyHITKKSYBGXWNOF-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 N-methylanthranilate
CID 101365
N-Benzoylanthranilate
CID 5091716
Ethyl N-ethylanthranilate
CID 61980
Ufenamate
CID 5632
Ethyl 4-(benzoylamino)benzoate
CID 12914
2-(4-Fluorobenzoylamino)benzoic acid methyl ester
CID 310557
N-(p-Amylcinnamoyl)anthranilic acid
CID 5353376
4-Phenylacetylamino-benzoic acid methyl ester
CID 669121
Methyl 3-(propionylamino)benzoate
CID 730634
Methyl 4-[(3-methylbenzoyl)amino]benzoate
CID 759219
4-Ethoxycarbonyl-2-quinolone
CID 160782

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate (CID 663870) is (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate is Cc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate?
The InChIKey is HITKKSYBGXWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-6-8-13(9-7-12)18(21)22-11-15-10-14-4-2-3-5-16(14)19-17(15)20/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate?
(2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate 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 (2-oxo-1H-quinolin-3-yl)methyl 4-methylbenzoate is sourced from PubChem (CID 663870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).