quinolin-8-ylmethyl 3-hydroxybenzoate

C17H13NO3 — CID 17392700

IUPACquinolin-8-ylmethyl 3-hydroxybenzoate
SMILESO=C(OCc1cccc2cccnc12)c1cccc(O)c1
InChIInChI=1S/C17H13NO3/c19-15-8-2-5-13(10-15)17(20)21-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-10,19H,11H2
InChIKeyBVKOYYAMEKEQOI-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About quinolin-8-ylmethyl 3-hydroxybenzoate

quinolin-8-ylmethyl 3-hydroxybenzoate (PubChem CID 17392700) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is quinolin-8-ylmethyl 3-hydroxybenzoate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 3-hydroxybenzoate
PubChem CID17392700
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namequinolin-8-ylmethyl 3-hydroxybenzoate
SMILESO=C(OCc1cccc2cccnc12)c1cccc(O)c1
InChIInChI=1S/C17H13NO3/c19-15-8-2-5-13(10-15)17(20)21-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-10,19H,11H2
InChIKeyBVKOYYAMEKEQOI-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
quinolin-8-ylmethyl 5-propyl-1H-pyrazole-3-carboxylate
CID 55562186
3-(quinolin-8-ylmethoxy)benzenecarbothioamide
CID 28775042
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
benzyl 3-hydroxybenzoate
CID 11736317
ethyl 2-quinolin-8-ylacetate
CID 52562898
quinolin-8-ylmethyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577350
quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646497
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
1-(quinolin-8-ylmethyl)pyridin-1-ium-3-carboxamide chloride
CID 24587667
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 3-hydroxybenzoate?
The IUPAC name of quinolin-8-ylmethyl 3-hydroxybenzoate (CID 17392700) is quinolin-8-ylmethyl 3-hydroxybenzoate.
What is the SMILES notation for quinolin-8-ylmethyl 3-hydroxybenzoate?
The canonical SMILES for quinolin-8-ylmethyl 3-hydroxybenzoate is O=C(OCc1cccc2cccnc12)c1cccc(O)c1.
What is the InChIKey of quinolin-8-ylmethyl 3-hydroxybenzoate?
The InChIKey is BVKOYYAMEKEQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-8-2-5-13(10-15)17(20)21-11-14-6-1-4-12-7-3-9-18-16(12)14/h1-10,19H,11H2.
What are the key properties of quinolin-8-ylmethyl 3-hydroxybenzoate?
quinolin-8-ylmethyl 3-hydroxybenzoate has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 3-hydroxybenzoate is sourced from PubChem (CID 17392700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).