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

C16H18N4O — CID 63777015

IUPAC[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCN(C)c3ccccc32)ccn1
InChIInChI=1S/C16H18N4O/c1-17-15-11-12(7-8-18-15)16(21)20-10-9-19(2)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyFYOFRRIQOLFYRL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.22
Rot. Bonds2

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

[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 63777015) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID63777015
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCNc1cc(C(=O)N2CCN(C)c3ccccc32)ccn1
InChIInChI=1S/C16H18N4O/c1-17-15-11-12(7-8-18-15)16(21)20-10-9-19(2)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3,(H,17,18)
InChIKeyFYOFRRIQOLFYRL-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-(methylamino)phenyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777193
(3-iodophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63779175
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[4-(methylamino)-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 81234844
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 110471433
(2-hydrazinyl-3-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63777378
(3-amino-4-bromophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776735
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 97015667
4-(4-methyl-2,3-dihydroquinoxaline-1-carbonyl)benzonitrile
CID 53013850

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 63777015) is [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is CNc1cc(C(=O)N2CCN(C)c3ccccc32)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is FYOFRRIQOLFYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-17-15-11-12(7-8-18-15)16(21)20-10-9-19(2)13-5-3-4-6-14(13)20/h3-8,11H,9-10H2,1-2H3,(H,17,18).
What are the key properties of [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[2-(methylamino)-4-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 [2-(methylamino)-4-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 63777015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).