7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one

C14H11NO4 — CID 91414831

IUPAC7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(CO)o2)c2ccc(O)cc2[nH]1
InChIInChI=1S/C14H11NO4/c16-7-9-2-4-13(19-9)11-6-14(18)15-12-5-8(17)1-3-10(11)12/h1-6,16-17H,7H2,(H,15,18)
InChIKeyIDBBBZPURJJTCL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.99
Rot. Bonds2

About 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one

7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one (PubChem CID 91414831) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one
PubChem CID91414831
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one
SMILESO=c1cc(-c2ccc(CO)o2)c2ccc(O)cc2[nH]1
InChIInChI=1S/C14H11NO4/c16-7-9-2-4-13(19-9)11-6-14(18)15-12-5-8(17)1-3-10(11)12/h1-6,16-17H,7H2,(H,15,18)
InChIKeyIDBBBZPURJJTCL-UHFFFAOYSA-N
XLogP1.99
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one?
The IUPAC name of 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one (CID 91414831) is 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one is O=c1cc(-c2ccc(CO)o2)c2ccc(O)cc2[nH]1.
What is the InChIKey of 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one?
The InChIKey is IDBBBZPURJJTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-7-9-2-4-13(19-9)11-6-14(18)15-12-5-8(17)1-3-10(11)12/h1-6,16-17H,7H2,(H,15,18).
What are the key properties of 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one?
7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one has a molecular weight of 257.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[5-(hydroxymethyl)furan-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 91414831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).