quinolin-8-yl 2-(4-methoxyphenyl)acetate

C18H15NO3 — CID 3309507

IUPACquinolin-8-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15NO3/c1-21-15-9-7-13(8-10-15)12-17(20)22-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3
InChIKeyKRXSCTZXUZRFOB-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.39
Rot. Bonds4

About quinolin-8-yl 2-(4-methoxyphenyl)acetate

quinolin-8-yl 2-(4-methoxyphenyl)acetate (PubChem CID 3309507) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is quinolin-8-yl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namequinolin-8-yl 2-(4-methoxyphenyl)acetate
PubChem CID3309507
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namequinolin-8-yl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C18H15NO3/c1-21-15-9-7-13(8-10-15)12-17(20)22-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3
InChIKeyKRXSCTZXUZRFOB-UHFFFAOYSA-N
XLogP3.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 6855
CID 6855
CID 123723
CID 123723
CID 71604304
CID 71604304
CID 62626
CID 62626
CID 72710774
CID 72710774
CID 2718
CID 2718
CID 71711120
CID 71711120
CID 75777
CID 75777
CID 3329723
CID 3329723
CID 70310
CID 70310
CID 125497
CID 125497
CID 1550199
CID 1550199

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-(4-methoxyphenyl)acetate?
The IUPAC name of quinolin-8-yl 2-(4-methoxyphenyl)acetate (CID 3309507) is quinolin-8-yl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for quinolin-8-yl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for quinolin-8-yl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)Oc2cccc3cccnc23)cc1.
What is the InChIKey of quinolin-8-yl 2-(4-methoxyphenyl)acetate?
The InChIKey is KRXSCTZXUZRFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-15-9-7-13(8-10-15)12-17(20)22-16-6-2-4-14-5-3-11-19-18(14)16/h2-11H,12H2,1H3.
What are the key properties of quinolin-8-yl 2-(4-methoxyphenyl)acetate?
quinolin-8-yl 2-(4-methoxyphenyl)acetate has a molecular weight of 293.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 3309507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).