5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one

C22H17NO2S — CID 164686583

IUPAC5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(c1ccccc1)(c1cccs1)C2
InChIInChI=1S/C22H17NO2S/c1-23-18-11-6-5-10-16(18)20-17(21(23)24)14-22(25-20,19-12-7-13-26-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyJFZDPZPPPALHBK-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.48
Rot. Bonds2

About 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one

5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one (PubChem CID 164686583) has the molecular formula C22H17NO2S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one
PubChem CID164686583
Molecular FormulaC22H17NO2S
Molecular Weight359.45 g/mol
Exact Mass359.10
IUPAC Name5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(c3ccccc31)OC(c1ccccc1)(c1cccs1)C2
InChIInChI=1S/C22H17NO2S/c1-23-18-11-6-5-10-16(18)20-17(21(23)24)14-22(25-20,19-12-7-13-26-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3
InChIKeyJFZDPZPPPALHBK-UHFFFAOYSA-N
XLogP4.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one (CID 164686583) is 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one is Cn1c(=O)c2c(c3ccccc31)OC(c1ccccc1)(c1cccs1)C2.
What is the InChIKey of 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one?
The InChIKey is JFZDPZPPPALHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S/c1-23-18-11-6-5-10-16(18)20-17(21(23)24)14-22(25-20,19-12-7-13-26-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3.
What are the key properties of 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one?
5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one has a molecular weight of 359.45 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-2-thiophen-2-yl-3H-furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 164686583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).