methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate

C19H15NO5 — CID 54758169

IUPACmethyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1cc(C(=O)c1ccccc1O)c(=O)n2C
InChIInChI=1S/C19H15NO5/c1-20-15-8-5-7-11(19(24)25-2)13(15)10-14(18(20)23)17(22)12-6-3-4-9-16(12)21/h3-10,21H,1-2H3
InChIKeyMPWNJDFALFZWQM-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.26
Rot. Bonds3

About methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate

methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate (PubChem CID 54758169) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate
PubChem CID54758169
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1cc(C(=O)c1ccccc1O)c(=O)n2C
InChIInChI=1S/C19H15NO5/c1-20-15-8-5-7-11(19(24)25-2)13(15)10-14(18(20)23)17(22)12-6-3-4-9-16(12)21/h3-10,21H,1-2H3
InChIKeyMPWNJDFALFZWQM-UHFFFAOYSA-N
XLogP2.26
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(2-hydroxybenzoyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 50901707
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 6-(2-hydroxybenzoyl)-1,3-dimethyl-2-sulfanylideneimidazo[4,5-b]pyridine-5-carboxylate
CID 50901709
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
methyl 2-benzoyloxy-3-hydroxybenzoate
CID 68781973
methyl 2-methyl-1-oxophthalazine-5-carboxylate
CID 167974102
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate?
The IUPAC name of methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate (CID 54758169) is methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate.
What is the SMILES notation for methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate?
The canonical SMILES for methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate is COC(=O)c1cccc2c1cc(C(=O)c1ccccc1O)c(=O)n2C.
What is the InChIKey of methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate?
The InChIKey is MPWNJDFALFZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-20-15-8-5-7-11(19(24)25-2)13(15)10-14(18(20)23)17(22)12-6-3-4-9-16(12)21/h3-10,21H,1-2H3.
What are the key properties of methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate?
methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate is sourced from PubChem (CID 54758169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).