1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one

C14H20N2O — CID 110669768

IUPAC1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-14(17)16-10-9-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLWGBIAUIQBXTCD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.66
Rot. Bonds2

About 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one

1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one (PubChem CID 110669768) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
PubChem CID110669768
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(C)C)c2ccccc21
InChIInChI=1S/C14H20N2O/c1-4-14(17)16-10-9-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyLWGBIAUIQBXTCD-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-propyl-2,3-dihydroquinoxaline-1-carboxamide
CID 110669824
methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
CID 137348876
1,5-di(propanoyl)-2,3-dihydro-1,5-benzodiazepin-4-one
CID 4048075
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)propan-1-one;ethane
CID 142121679
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
N,N-diethyl-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
CID 115641411
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713479
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-piperazin-1-ylethanone
CID 63777523

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The IUPAC name of 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one (CID 110669768) is 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one is CCC(=O)N1CCN(C(C)C)c2ccccc21.
What is the InChIKey of 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
The InChIKey is LWGBIAUIQBXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-14(17)16-10-9-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one?
1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one is sourced from PubChem (CID 110669768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).