4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one

C17H22N2O2 — CID 26860756

IUPAC4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCC2CCCCC2)c2ccccc2N1
InChIInChI=1S/C17H22N2O2/c20-16-12-19(15-9-5-4-8-14(15)18-16)17(21)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyBMEHKMXFBMFXTN-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.33
Rot. Bonds3

About 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one

4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 26860756) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID26860756
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CCC2CCCCC2)c2ccccc2N1
InChIInChI=1S/C17H22N2O2/c20-16-12-19(15-9-5-4-8-14(15)18-16)17(21)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20)
InChIKeyBMEHKMXFBMFXTN-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
4-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 31038718
N-[(1R,2R)-2-tert-butylcyclohexyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 39635856
5-[3-(oxan-4-yl)propanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 126783693
4-[2-(thian-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 80708962
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one (CID 26860756) is 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CCC2CCCCC2)c2ccccc2N1.
What is the InChIKey of 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BMEHKMXFBMFXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-12-19(15-9-5-4-8-14(15)18-16)17(21)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H,18,20).
What are the key properties of 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 286.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 26860756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).