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

C17H13NO3 — CID 73056961

IUPAC(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)21-15-10-16(19)18-14-5-3-2-4-13(14)15/h2-10H,1H3,(H,18,19)
InChIKeyTVKCCZMVVASGAR-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.06
Rot. Bonds2

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

(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate (PubChem CID 73056961) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
PubChem CID73056961
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)21-15-10-16(19)18-14-5-3-2-4-13(14)15/h2-10H,1H3,(H,18,19)
InChIKeyTVKCCZMVVASGAR-UHFFFAOYSA-N
XLogP3.06
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
4-(4-acetylphenoxy)-1H-quinolin-2-one
CID 59237524
(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate
CID 6265998
[2-(11,12-dihydroindolo[2,3-a]carbazole-2-carbonyloxy)phenyl] 11,12-dihydroindolo[2,3-a]carbazole-2-carboxylate
CID 132575987
methyl 4-[2-(4-methylphenyl)-1H-indol-3-yl]benzoate
CID 15528443
4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one
CID 171905311
4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
CID 59237419
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
N-(4-methoxyphenyl)-4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 2031864
6-methyl-4-phenoxy-1H-quinolin-2-one
CID 11989514
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate?
The IUPAC name of (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate (CID 73056961) is (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate.
What is the SMILES notation for (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate?
The canonical SMILES for (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate is Cc1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate?
The InChIKey is TVKCCZMVVASGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)17(20)21-15-10-16(19)18-14-5-3-2-4-13(14)15/h2-10H,1H3,(H,18,19).
What are the key properties of (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate?
(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate has a molecular weight of 279.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-4-yl) 4-methylbenzoate is sourced from PubChem (CID 73056961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).