quinolin-8-yl 3-(4-methoxyphenyl)benzoate

C23H17NO3 — CID 5158334

IUPACquinolin-8-yl 3-(4-methoxyphenyl)benzoate
SMILESCOc1ccc(-c2cccc(C(=O)Oc3cccc4cccnc34)c2)cc1
InChIInChI=1S/C23H17NO3/c1-26-20-12-10-16(11-13-20)18-6-2-7-19(15-18)23(25)27-21-9-3-5-17-8-4-14-24-22(17)21/h2-15H,1H3
InChIKeyFCVRDSIQGHXISY-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.13
Rot. Bonds4

About quinolin-8-yl 3-(4-methoxyphenyl)benzoate

quinolin-8-yl 3-(4-methoxyphenyl)benzoate (PubChem CID 5158334) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is quinolin-8-yl 3-(4-methoxyphenyl)benzoate.

Molecular Properties

Compound Namequinolin-8-yl 3-(4-methoxyphenyl)benzoate
PubChem CID5158334
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Namequinolin-8-yl 3-(4-methoxyphenyl)benzoate
SMILESCOc1ccc(-c2cccc(C(=O)Oc3cccc4cccnc34)c2)cc1
InChIInChI=1S/C23H17NO3/c1-26-20-12-10-16(11-13-20)18-6-2-7-19(15-18)23(25)27-21-9-3-5-17-8-4-14-24-22(17)21/h2-15H,1H3
InChIKeyFCVRDSIQGHXISY-UHFFFAOYSA-N
XLogP5.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.13
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

methyl 3-quinolin-8-ylbenzoate
CID 4189037
benzo[h]quinolin-10-yl 3-methylbenzoate
CID 132509817
quinolin-8-yl 3-bromo-4-ethoxybenzoate
CID 1104066
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
(4-chloro-3-methylphenyl) 3-(4-methoxyphenyl)benzoate
CID 5158333
(4-fluorophenyl) 3-(4-acetyloxyphenyl)benzoate
CID 2339044
hydron;quinolin-8-yl thiophene-2-carboxylate;chloride
CID 652773
quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648243
quinolin-8-yl 2-ethenylbenzoate
CID 162003110
quinolin-8-yl 3-[(1S,2R,6R,7S,8R,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]benzoate
CID 124775845
quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 39645755
4-quinolin-8-yloxybenzoic acid
CID 28825287

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 3-(4-methoxyphenyl)benzoate?
The IUPAC name of quinolin-8-yl 3-(4-methoxyphenyl)benzoate (CID 5158334) is quinolin-8-yl 3-(4-methoxyphenyl)benzoate.
What is the SMILES notation for quinolin-8-yl 3-(4-methoxyphenyl)benzoate?
The canonical SMILES for quinolin-8-yl 3-(4-methoxyphenyl)benzoate is COc1ccc(-c2cccc(C(=O)Oc3cccc4cccnc34)c2)cc1.
What is the InChIKey of quinolin-8-yl 3-(4-methoxyphenyl)benzoate?
The InChIKey is FCVRDSIQGHXISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-26-20-12-10-16(11-13-20)18-6-2-7-19(15-18)23(25)27-21-9-3-5-17-8-4-14-24-22(17)21/h2-15H,1H3.
What are the key properties of quinolin-8-yl 3-(4-methoxyphenyl)benzoate?
quinolin-8-yl 3-(4-methoxyphenyl)benzoate has a molecular weight of 355.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 3-(4-methoxyphenyl)benzoate is sourced from PubChem (CID 5158334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).