7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one

C14H8ClNO4 — CID 54735344

IUPAC7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccco1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C14H8ClNO4/c15-7-3-4-8-9(6-7)16-14(19)11(12(8)17)13(18)10-2-1-5-20-10/h1-6H,(H2,16,17,19)
InChIKeyPADJOXQXFCMDQW-UHFFFAOYSA-N
MW289.67 g/mol
LogP2.71
Rot. Bonds2

About 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one

7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one (PubChem CID 54735344) has the molecular formula C14H8ClNO4 and a molecular weight of 289.67 g/mol. Its IUPAC name is 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one
PubChem CID54735344
Molecular FormulaC14H8ClNO4
Molecular Weight289.67 g/mol
Exact Mass289.01
IUPAC Name7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccco1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C14H8ClNO4/c15-7-3-4-8-9(6-7)16-14(19)11(12(8)17)13(18)10-2-1-5-20-10/h1-6H,(H2,16,17,19)
InChIKeyPADJOXQXFCMDQW-UHFFFAOYSA-N
XLogP2.71
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one (CID 54735344) is 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one is O=C(c1ccco1)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one?
The InChIKey is PADJOXQXFCMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO4/c15-7-3-4-8-9(6-7)16-14(19)11(12(8)17)13(18)10-2-1-5-20-10/h1-6H,(H2,16,17,19).
What are the key properties of 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one has a molecular weight of 289.67 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(furan-2-carbonyl)-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).