5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one

C14H12N2O3 — CID 90080456

IUPAC5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one
SMILESCC1(c2cnc3ccccc3c2)OC(N)=C(O)C1=O
InChIInChI=1S/C14H12N2O3/c1-14(12(18)11(17)13(15)19-14)9-6-8-4-2-3-5-10(8)16-7-9/h2-7,17H,15H2,1H3
InChIKeyPVFFFCBLGPEGNU-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.74
Rot. Bonds1

About 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one

5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one (PubChem CID 90080456) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one
PubChem CID90080456
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one
SMILESCC1(c2cnc3ccccc3c2)OC(N)=C(O)C1=O
InChIInChI=1S/C14H12N2O3/c1-14(12(18)11(17)13(15)19-14)9-6-8-4-2-3-5-10(8)16-7-9/h2-7,17H,15H2,1H3
InChIKeyPVFFFCBLGPEGNU-UHFFFAOYSA-N
XLogP1.74
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one?
The IUPAC name of 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one (CID 90080456) is 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one.
What is the SMILES notation for 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one?
The canonical SMILES for 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one is CC1(c2cnc3ccccc3c2)OC(N)=C(O)C1=O.
What is the InChIKey of 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one?
The InChIKey is PVFFFCBLGPEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-14(12(18)11(17)13(15)19-14)9-6-8-4-2-3-5-10(8)16-7-9/h2-7,17H,15H2,1H3.
What are the key properties of 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one?
5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one has a molecular weight of 256.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methyl-2-quinolin-3-ylfuran-3-one is sourced from PubChem (CID 90080456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).