quinolin-8-yl 2-ethenylbenzoate

C18H13NO2 — CID 162003110

IUPACquinolin-8-yl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c1-2-13-7-3-4-10-15(13)18(20)21-16-11-5-8-14-9-6-12-19-17(14)16/h2-12H,1H2
InChIKeyYSMBPYOQIFFRME-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.10
Rot. Bonds3

About quinolin-8-yl 2-ethenylbenzoate

quinolin-8-yl 2-ethenylbenzoate (PubChem CID 162003110) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is quinolin-8-yl 2-ethenylbenzoate.

Molecular Properties

Compound Namequinolin-8-yl 2-ethenylbenzoate
PubChem CID162003110
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Namequinolin-8-yl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c1-2-13-7-3-4-10-15(13)18(20)21-16-11-5-8-14-9-6-12-19-17(14)16/h2-12H,1H2
InChIKeyYSMBPYOQIFFRME-UHFFFAOYSA-N
XLogP4.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
quinolin-8-yl 1-hydroxynaphthalene-2-carboxylate
CID 90474305
quinolin-8-yl 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate
CID 18858955
phenyl quinoline-8-carboxylate
CID 2227226
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
quinolin-8-yl 2-(naphthalen-2-ylsulfonylamino)benzoate
CID 3301854
quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
(Z)-3-formyl-4-oxo-4-quinolin-8-yloxybut-2-enoic acid
CID 174965232
quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116
quinolin-8-yl 3-(4-methoxyphenyl)benzoate
CID 5158334
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
anthracen-1-yl 2-formylbenzoate
CID 141425213

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-ethenylbenzoate?
The IUPAC name of quinolin-8-yl 2-ethenylbenzoate (CID 162003110) is quinolin-8-yl 2-ethenylbenzoate.
What is the SMILES notation for quinolin-8-yl 2-ethenylbenzoate?
The canonical SMILES for quinolin-8-yl 2-ethenylbenzoate is C=Cc1ccccc1C(=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 2-ethenylbenzoate?
The InChIKey is YSMBPYOQIFFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-2-13-7-3-4-10-15(13)18(20)21-16-11-5-8-14-9-6-12-19-17(14)16/h2-12H,1H2.
What are the key properties of quinolin-8-yl 2-ethenylbenzoate?
quinolin-8-yl 2-ethenylbenzoate has a molecular weight of 275.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-ethenylbenzoate is sourced from PubChem (CID 162003110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).