methyl 4-(6-hydroxyquinolin-2-yl)benzoate

C17H13NO3 — CID 66980069

IUPACmethyl 4-(6-hydroxyquinolin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C17H13NO3/c1-21-17(20)12-4-2-11(3-5-12)15-8-6-13-10-14(19)7-9-16(13)18-15/h2-10,19H,1H3
InChIKeyZECWKKLVFGVWHX-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.39
Rot. Bonds2

About methyl 4-(6-hydroxyquinolin-2-yl)benzoate

methyl 4-(6-hydroxyquinolin-2-yl)benzoate (PubChem CID 66980069) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 4-(6-hydroxyquinolin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(6-hydroxyquinolin-2-yl)benzoate
PubChem CID66980069
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 4-(6-hydroxyquinolin-2-yl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C17H13NO3/c1-21-17(20)12-4-2-11(3-5-12)15-8-6-13-10-14(19)7-9-16(13)18-15/h2-10,19H,1H3
InChIKeyZECWKKLVFGVWHX-UHFFFAOYSA-N
XLogP3.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid
CID 175279175
2-[4-(dimethylamino)phenyl]quinolin-6-ol
CID 46931569
6-(6-hydroxyquinolin-2-yl)pyridine-3-carboxylic acid
CID 163997416
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
CID 58362670
2-pyridin-3-ylquinolin-6-ol
CID 118168509
CID 159177716
CID 159177716
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
methyl 2-tert-butylquinoline-6-carboxylate
CID 57458162
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
methyl phenazine-2-carboxylate
CID 617185
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-hydroxyquinolin-2-yl)benzoate?
The IUPAC name of methyl 4-(6-hydroxyquinolin-2-yl)benzoate (CID 66980069) is methyl 4-(6-hydroxyquinolin-2-yl)benzoate.
What is the SMILES notation for methyl 4-(6-hydroxyquinolin-2-yl)benzoate?
The canonical SMILES for methyl 4-(6-hydroxyquinolin-2-yl)benzoate is COC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.
What is the InChIKey of methyl 4-(6-hydroxyquinolin-2-yl)benzoate?
The InChIKey is ZECWKKLVFGVWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-21-17(20)12-4-2-11(3-5-12)15-8-6-13-10-14(19)7-9-16(13)18-15/h2-10,19H,1H3.
What are the key properties of methyl 4-(6-hydroxyquinolin-2-yl)benzoate?
methyl 4-(6-hydroxyquinolin-2-yl)benzoate has a molecular weight of 279.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-hydroxyquinolin-2-yl)benzoate is sourced from PubChem (CID 66980069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).