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

C16H18N4O — CID 81234844

IUPAC[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-17-13-7-8-18-11-12(13)16(21)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyUWAZSPPZVAVXIJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.22
Rot. Bonds2

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

[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 81234844) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID81234844
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H18N4O/c1-17-13-7-8-18-11-12(13)16(21)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyUWAZSPPZVAVXIJ-UHFFFAOYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 136532225
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81235104
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
[4-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777015
[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626768
(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 103765210
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 116666348

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 81234844) is [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CNc1ccncc1C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is UWAZSPPZVAVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-17-13-7-8-18-11-12(13)16(21)20-10-9-19(2)14-5-3-4-6-15(14)20/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 81234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).