7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one

C14H10ClNO3 — CID 54719379

IUPAC7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one
SMILESCc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)o1
InChIInChI=1S/C14H10ClNO3/c1-7-2-5-11(19-7)12-13(17)9-4-3-8(15)6-10(9)16-14(12)18/h2-6H,1H3,(H2,16,17,18)
InChIKeyKRLFXYSVUGIRSL-UHFFFAOYSA-N
MW275.69 g/mol
LogP3.46
Rot. Bonds1

About 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one (PubChem CID 54719379) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one
PubChem CID54719379
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one
SMILESCc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)o1
InChIInChI=1S/C14H10ClNO3/c1-7-2-5-11(19-7)12-13(17)9-4-3-8(15)6-10(9)16-14(12)18/h2-6H,1H3,(H2,16,17,18)
InChIKeyKRLFXYSVUGIRSL-UHFFFAOYSA-N
XLogP3.46
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one (CID 54719379) is 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one is Cc1ccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)o1.
What is the InChIKey of 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one?
The InChIKey is KRLFXYSVUGIRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c1-7-2-5-11(19-7)12-13(17)9-4-3-8(15)6-10(9)16-14(12)18/h2-6H,1H3,(H2,16,17,18).
What are the key properties of 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one has a molecular weight of 275.69 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(5-methylfuran-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 54719379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).