quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C19H15N3O3 — CID 55646497

IUPACquinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(OCc1cccc2cccnc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H15N3O3/c23-19(17-8-7-16(25-17)12-22-11-3-10-21-22)24-13-15-5-1-4-14-6-2-9-20-18(14)15/h1-11H,12-13H2
InChIKeyZBPJDOUXDJVDOV-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.43
Rot. Bonds5

About quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646497) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Namequinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646497
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namequinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESO=C(OCc1cccc2cccnc12)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H15N3O3/c23-19(17-8-7-16(25-17)12-22-11-3-10-21-22)24-13-15-5-1-4-14-6-2-9-20-18(14)15/h1-11H,12-13H2
InChIKeyZBPJDOUXDJVDOV-UHFFFAOYSA-N
XLogP3.43
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(pyrazol-1-ylmethyl)-N-(2-quinolin-8-yloxyethyl)furan-2-carboxamide
CID 131940244
(5-chlorothiadiazol-4-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646489
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646553
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
quinolin-8-ylmethyl 3-hydroxybenzoate
CID 17392700
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646855
methyl 5-[[4-(quinolin-8-ylsulfonylamino)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 3819625
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646701

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646497) is quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is O=C(OCc1cccc2cccnc12)c1ccc(Cn2cccn2)o1.
What is the InChIKey of quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is ZBPJDOUXDJVDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(17-8-7-16(25-17)12-22-11-3-10-21-22)24-13-15-5-1-4-14-6-2-9-20-18(14)15/h1-11H,12-13H2.
What are the key properties of quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).