(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate

C19H14BrN3O4 — CID 86947563

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C19H14BrN3O4/c20-14-8-21-23(9-14)10-15-5-6-17(27-15)19(25)26-11-13-7-12-3-1-2-4-16(12)22-18(13)24/h1-9H,10-11H2,(H,22,24)
InChIKeyAFBVKXQGQLSALL-UHFFFAOYSA-N
MW428.24 g/mol
LogP3.49
Rot. Bonds5

About (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate

(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (PubChem CID 86947563) has the molecular formula C19H14BrN3O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
PubChem CID86947563
Molecular FormulaC19H14BrN3O4
Molecular Weight428.24 g/mol
Exact Mass427.02
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
SMILESO=C(OCc1cc2ccccc2[nH]c1=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C19H14BrN3O4/c20-14-8-21-23(9-14)10-15-5-6-17(27-15)19(25)26-11-13-7-12-3-1-2-4-16(12)22-18(13)24/h1-9H,10-11H2,(H,22,24)
InChIKeyAFBVKXQGQLSALL-UHFFFAOYSA-N
XLogP3.49
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate (CID 86947563) is (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is O=C(OCc1cc2ccccc2[nH]c1=O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
The InChIKey is AFBVKXQGQLSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O4/c20-14-8-21-23(9-14)10-15-5-6-17(27-15)19(25)26-11-13-7-12-3-1-2-4-16(12)22-18(13)24/h1-9H,10-11H2,(H,22,24).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate?
(2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate has a molecular weight of 428.24 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 86947563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).