7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one

C20H14ClNO3 — CID 54698882

IUPAC7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccoc2)c1
InChIInChI=1S/C20H14ClNO3/c21-15-4-5-16-17(10-15)22-20(24)18(19(16)23)14-3-1-2-12(9-14)8-13-6-7-25-11-13/h1-7,9-11H,8H2,(H2,22,23,24)
InChIKeyOUHUMSRECNFDEY-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.74
Rot. Bonds3

About 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one

7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 54698882) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID54698882
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccoc2)c1
InChIInChI=1S/C20H14ClNO3/c21-15-4-5-16-17(10-15)22-20(24)18(19(16)23)14-3-1-2-12(9-14)8-13-6-7-25-11-13/h1-7,9-11H,8H2,(H2,22,23,24)
InChIKeyOUHUMSRECNFDEY-UHFFFAOYSA-N
XLogP4.74
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one (CID 54698882) is 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccoc2)c1.
What is the InChIKey of 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is OUHUMSRECNFDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-15-4-5-16-17(10-15)22-20(24)18(19(16)23)14-3-1-2-12(9-14)8-13-6-7-25-11-13/h1-7,9-11H,8H2,(H2,22,23,24).
What are the key properties of 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 351.79 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(furan-3-ylmethyl)phenyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54698882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).