3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C16H16N2O2S — CID 170319935

IUPAC3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-6-13-15(19)17-11-7-3-4-8-12(11)18(13)16(20)14-9-5-10-21-14/h3-5,7-10,13H,2,6H2,1H3,(H,17,19)
InChIKeyMJKAYKIAONRMDU-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.52
Rot. Bonds3

About 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one

3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 170319935) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID170319935
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-2-6-13-15(19)17-11-7-3-4-8-12(11)18(13)16(20)14-9-5-10-21-14/h3-5,7-10,13H,2,6H2,1H3,(H,17,19)
InChIKeyMJKAYKIAONRMDU-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 170319935) is 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is CCCC1C(=O)Nc2ccccc2N1C(=O)c1cccs1.
What is the InChIKey of 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is MJKAYKIAONRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-6-13-15(19)17-11-7-3-4-8-12(11)18(13)16(20)14-9-5-10-21-14/h3-5,7-10,13H,2,6H2,1H3,(H,17,19).
What are the key properties of 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 300.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 170319935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).