3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one

C16H18N2O — CID 114192891

IUPAC3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
SMILESO=C(CCC1CCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H18N2O/c19-15(9-8-12-4-1-2-5-12)13-6-3-7-14-16(13)18-11-10-17-14/h3,6-7,10-12H,1-2,4-5,8-9H2
InChIKeyWQJHYNJTMKKGBK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.78
Rot. Bonds4

About 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one

3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one (PubChem CID 114192891) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
PubChem CID114192891
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
SMILESO=C(CCC1CCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H18N2O/c19-15(9-8-12-4-1-2-5-12)13-6-3-7-14-16(13)18-11-10-17-14/h3,6-7,10-12H,1-2,4-5,8-9H2
InChIKeyWQJHYNJTMKKGBK-UHFFFAOYSA-N
XLogP3.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,10-Phenanthroline-5,6-dione
CID 72810
Naphtho(3,2-F)quinoxaline-7,12-dione
CID 12567021
3-[4-(Trifluoromethyl)phenyl]quinoxaline-5-carboxamide
CID 9922953
3-(4-Cyanophenyl)quinoxaline-5-carboxamide
CID 25218518
3-(4-Aminophenyl)quinoxaline-5-carboxamide
CID 25218519
Quinoline-8-carboxamide
CID 150664
3-methyl-N-quinolin-8-ylbenzamide
CID 849605
1,10-Phenanthrolin-4-ol
CID 3735617
1-(Quinolin-3-yl)ethan-1-one
CID 5325612
3-Quinolinecarboxamide
CID 15561101
3-Phenylquinoxaline-5-carboxamide
CID 11184249
N-(2,4,6-trimethylphenyl)quinoxaline-6-carboxamide
CID 2501545

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one?
The IUPAC name of 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one (CID 114192891) is 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one?
The canonical SMILES for 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one is O=C(CCC1CCCC1)c1cccc2nccnc12.
What is the InChIKey of 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one?
The InChIKey is WQJHYNJTMKKGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-15(9-8-12-4-1-2-5-12)13-6-3-7-14-16(13)18-11-10-17-14/h3,6-7,10-12H,1-2,4-5,8-9H2.
What are the key properties of 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one?
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one is sourced from PubChem (CID 114192891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).