[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C17H19N3O — CID 63777193

IUPAC[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c1-18-14-9-7-13(8-10-14)17(21)20-12-11-19(2)15-5-3-4-6-16(15)20/h3-10,18H,11-12H2,1-2H3
InChIKeyYANNYJRKUDKWLL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.82
Rot. Bonds2

About [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 63777193) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID63777193
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1
InChIInChI=1S/C17H19N3O/c1-18-14-9-7-13(8-10-14)17(21)20-12-11-19(2)15-5-3-4-6-16(15)20/h3-10,18H,11-12H2,1-2H3
InChIKeyYANNYJRKUDKWLL-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
5-chloro-N-[4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 166202253
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 97015667
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
4-methyl-2,3-dihydroquinoxaline-1-carbohydrazide
CID 63776473
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 63777193) is [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CNc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1.
What is the InChIKey of [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is YANNYJRKUDKWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-14-9-7-13(8-10-14)17(21)20-12-11-19(2)15-5-3-4-6-16(15)20/h3-10,18H,11-12H2,1-2H3.
What are the key properties of [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 63777193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).