4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one

C16H24N2O — CID 63778227

IUPAC4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
SMILESCN1CCN(CCC(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)9-10-18-12-11-17(4)13-7-5-6-8-14(13)18/h5-8H,9-12H2,1-4H3
InChIKeyWSLNBTLAMMRUDX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.95
Rot. Bonds3

About 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one

4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one (PubChem CID 63778227) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
PubChem CID63778227
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
SMILESCN1CCN(CCC(=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2,3)15(19)9-10-18-12-11-17(4)13-7-5-6-8-14(13)18/h5-8H,9-12H2,1-4H3
InChIKeyWSLNBTLAMMRUDX-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
CID 65247638
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
4,4-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 63484285
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 112561690
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64789196
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 63778931
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-thiophen-2-ylethanone
CID 63778575

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one?
The IUPAC name of 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one (CID 63778227) is 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one is CN1CCN(CCC(=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one?
The InChIKey is WSLNBTLAMMRUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)15(19)9-10-18-12-11-17(4)13-7-5-6-8-14(13)18/h5-8H,9-12H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one?
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one has a molecular weight of 260.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one is sourced from PubChem (CID 63778227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).