7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one

C15H22N2O — CID 84632527

IUPAC7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H22N2O/c1-5-8-17-13-9-11(15(2,3)4)6-7-12(13)16-10-14(17)18/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyPRJPBTYGZOEELO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.15
Rot. Bonds2

About 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one

7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84632527) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
PubChem CID84632527
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
SMILESCCCN1C(=O)CNc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C15H22N2O/c1-5-8-17-13-9-11(15(2,3)4)6-7-12(13)16-10-14(17)18/h6-7,9,16H,5,8,10H2,1-4H3
InChIKeyPRJPBTYGZOEELO-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906
7-bromo-1-(3-methylbutyl)-3,4-dihydroquinoxalin-2-one
CID 117006307
5,6-dimethyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623081
4-(3-methylbutyl)-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007024
5-tert-butyl-1,2-dihydroindol-3-one
CID 90244425
1-butyl-2-oxo-3,4-dihydroquinoxaline-6-carbonitrile
CID 83644029
5-[2-(dimethylamino)ethyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]quinoxalin-6-one
CID 82157854
1-(4-tert-butylphenyl)-N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
CID 138673310

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one (CID 84632527) is 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one is CCCN1C(=O)CNc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is PRJPBTYGZOEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-8-17-13-9-11(15(2,3)4)6-7-12(13)16-10-14(17)18/h6-7,9,16H,5,8,10H2,1-4H3.
What are the key properties of 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one?
7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84632527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).