1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline

C24H30N2O2S — CID 158522362

IUPAC1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
SMILESCC(C)C(=O)C1CCCC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C15H14N2OS.C9H16O/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-7(2)9(10)8-5-3-4-6-8/h3-10H,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyHMJGBSBDLSGBQV-UHFFFAOYSA-N
MW410.58 g/mol
LogP6.55
Rot. Bonds5

About 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline

1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline (PubChem CID 158522362) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
PubChem CID158522362
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline
SMILESCC(C)C(=O)C1CCCC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1
InChIInChI=1S/C15H14N2OS.C9H16O/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-7(2)9(10)8-5-3-4-6-8/h3-10H,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyHMJGBSBDLSGBQV-UHFFFAOYSA-N
XLogP6.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The IUPAC name of 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline (CID 158522362) is 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline.
What is the SMILES notation for 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The canonical SMILES for 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline is CC(C)C(=O)C1CCCC1.CC(C)Oc1nc2ccccc2nc1-c1cccs1.
What is the InChIKey of 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
The InChIKey is HMJGBSBDLSGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS.C9H16O/c1-10(2)18-15-14(13-8-5-9-19-13)16-11-6-3-4-7-12(11)17-15;1-7(2)9(10)8-5-3-4-6-8/h3-10H,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline?
1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline has a molecular weight of 410.58 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methylpropan-1-one;2-propan-2-yloxy-3-thiophen-2-ylquinoxaline is sourced from PubChem (CID 158522362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).