quinolin-8-yl 2-methylbenzoate

C17H13NO2 — CID 747327

IUPACquinolin-8-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H13NO2/c1-12-6-2-3-9-14(12)17(19)20-15-10-4-7-13-8-5-11-18-16(13)15/h2-11H,1H3
InChIKeyGEEKIHPDSZXCMY-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.76
Rot. Bonds2

About quinolin-8-yl 2-methylbenzoate

quinolin-8-yl 2-methylbenzoate (PubChem CID 747327) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is quinolin-8-yl 2-methylbenzoate.

Molecular Properties

Compound Namequinolin-8-yl 2-methylbenzoate
PubChem CID747327
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namequinolin-8-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H13NO2/c1-12-6-2-3-9-14(12)17(19)20-15-10-4-7-13-8-5-11-18-16(13)15/h2-11H,1H3
InChIKeyGEEKIHPDSZXCMY-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-methylbenzoate?
The IUPAC name of quinolin-8-yl 2-methylbenzoate (CID 747327) is quinolin-8-yl 2-methylbenzoate.
What is the SMILES notation for quinolin-8-yl 2-methylbenzoate?
The canonical SMILES for quinolin-8-yl 2-methylbenzoate is Cc1ccccc1C(=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 2-methylbenzoate?
The InChIKey is GEEKIHPDSZXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-12-6-2-3-9-14(12)17(19)20-15-10-4-7-13-8-5-11-18-16(13)15/h2-11H,1H3.
What are the key properties of quinolin-8-yl 2-methylbenzoate?
quinolin-8-yl 2-methylbenzoate has a molecular weight of 263.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-methylbenzoate is sourced from PubChem (CID 747327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).