2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

C31H29N5O2S — CID 70796861

IUPAC2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESO=c1[nH]c2cc3nc(-c4ccc(-c5ccco5)s4)n(CCCN4CCCCC4)c3cc2nc1-c1ccccc1
InChIInChI=1S/C31H29N5O2S/c37-31-29(21-9-3-1-4-10-21)32-23-20-25-24(19-22(23)34-31)33-30(28-13-12-27(39-28)26-11-7-18-38-26)36(25)17-8-16-35-14-5-2-6-15-35/h1,3-4,7,9-13,18-20H,2,5-6,8,14-17H2,(H,34,37)
InChIKeyYDZWJVMJFTUSOV-UHFFFAOYSA-N
MW535.67 g/mol
LogP6.80
Rot. Bonds7

About 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one

2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (PubChem CID 70796861) has the molecular formula C31H29N5O2S and a molecular weight of 535.67 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.

Molecular Properties

Compound Name2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
PubChem CID70796861
Molecular FormulaC31H29N5O2S
Molecular Weight535.67 g/mol
Exact Mass535.20
IUPAC Name2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one
SMILESO=c1[nH]c2cc3nc(-c4ccc(-c5ccco5)s4)n(CCCN4CCCCC4)c3cc2nc1-c1ccccc1
InChIInChI=1S/C31H29N5O2S/c37-31-29(21-9-3-1-4-10-21)32-23-20-25-24(19-22(23)34-31)33-30(28-13-12-27(39-28)26-11-7-18-38-26)36(25)17-8-16-35-14-5-2-6-15-35/h1,3-4,7,9-13,18-20H,2,5-6,8,14-17H2,(H,34,37)
InChIKeyYDZWJVMJFTUSOV-UHFFFAOYSA-N
XLogP6.80
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The IUPAC name of 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one (CID 70796861) is 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one.
What is the SMILES notation for 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The canonical SMILES for 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is O=c1[nH]c2cc3nc(-c4ccc(-c5ccco5)s4)n(CCCN4CCCCC4)c3cc2nc1-c1ccccc1.
What is the InChIKey of 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
The InChIKey is YDZWJVMJFTUSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2S/c37-31-29(21-9-3-1-4-10-21)32-23-20-25-24(19-22(23)34-31)33-30(28-13-12-27(39-28)26-11-7-18-38-26)36(25)17-8-16-35-14-5-2-6-15-35/h1,3-4,7,9-13,18-20H,2,5-6,8,14-17H2,(H,34,37).
What are the key properties of 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one?
2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one has a molecular weight of 535.67 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)thiophen-2-yl]-7-phenyl-1-(3-piperidin-1-ylpropyl)-5H-imidazo[4,5-g]quinoxalin-6-one is sourced from PubChem (CID 70796861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).