(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate

C17H13NO3 — CID 3267890

IUPAC(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
SMILESCc1ccc2[nH]c(=O)cc(OC(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-14-13(9-11)15(10-16(19)18-14)21-17(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyDCIUPUHALNFZCJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.06
Rot. Bonds2

About (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate

(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate (PubChem CID 3267890) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate.

Molecular Properties

Compound Name(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
PubChem CID3267890
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
SMILESCc1ccc2[nH]c(=O)cc(OC(=O)c3ccccc3)c2c1
InChIInChI=1S/C17H13NO3/c1-11-7-8-14-13(9-11)15(10-16(19)18-14)21-17(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyDCIUPUHALNFZCJ-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

(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
CID 73056961
(6-methyl-2-oxo-1H-quinolin-4-yl) (E)-3-phenylprop-2-enoate
CID 6265998
6-methyl-4-phenoxy-1H-quinolin-2-one
CID 11989514
[2-[[(2-benzoyloxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenyl] benzoate
CID 100999769
(2-benzoyloxy-3-tert-butyl-5-methylphenyl) benzoate
CID 59400552
4-iodo-6-methyl-1H-quinolin-2-one
CID 156809530
(2,5-dimethylphenyl) 4-phenylbenzoate
CID 1234511
9H-carbazol-3-yl benzoate
CID 142723701
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400367
[(2S)-butan-2-yl] 6-methyl-2-oxo-1H-quinoline-4-carboxylate
CID 26870444
(2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate
CID 23741616
(2-butyl-4-methylphenyl) benzoate
CID 70578345

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate?
The IUPAC name of (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate (CID 3267890) is (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate.
What is the SMILES notation for (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate?
The canonical SMILES for (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate is Cc1ccc2[nH]c(=O)cc(OC(=O)c3ccccc3)c2c1.
What is the InChIKey of (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate?
The InChIKey is DCIUPUHALNFZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-7-8-14-13(9-11)15(10-16(19)18-14)21-17(20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate?
(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate 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 (6-methyl-2-oxo-1H-quinolin-4-yl) benzoate is sourced from PubChem (CID 3267890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).