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

C20H14ClNO2S — CID 54720924

IUPAC7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccsc2)c1
InChIInChI=1S/C20H14ClNO2S/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)
InChIKeyUACGCNCLAOPGCQ-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.21
Rot. Bonds3

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

7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one (PubChem CID 54720924) has the molecular formula C20H14ClNO2S and a molecular weight of 367.86 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one
PubChem CID54720924
Molecular FormulaC20H14ClNO2S
Molecular Weight367.86 g/mol
Exact Mass367.04
IUPAC Name7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccsc2)c1
InChIInChI=1S/C20H14ClNO2S/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)
InChIKeyUACGCNCLAOPGCQ-UHFFFAOYSA-N
XLogP5.21
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.21
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-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one (CID 54720924) is 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccsc2)c1.
What is the InChIKey of 7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one?
The InChIKey is UACGCNCLAOPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO2S/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-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one has a molecular weight of 367.86 g/mol, XLogP of 5.21, 3 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-[3-(thiophen-3-ylmethyl)phenyl]-1H-quinolin-2-one is sourced from PubChem (CID 54720924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).