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

C16H17N3O — CID 136532225

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17N3O/c1-12-11-17-8-7-13(12)16(20)19-10-9-18(2)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3
InChIKeyYOZZPUNOFVDJNL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds1

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

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone (PubChem CID 136532225) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
PubChem CID136532225
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone
SMILESCc1cnccc1C(=O)N1CCN(C)c2ccccc21
InChIInChI=1S/C16H17N3O/c1-12-11-17-8-7-13(12)16(20)19-10-9-18(2)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3
InChIKeyYOZZPUNOFVDJNL-UHFFFAOYSA-N
XLogP2.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542
[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
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(4-methylphenyl)methanone
CID 110715085
[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626768
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-fluoro-4-hydroxyphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107676708
(2-bromo-4-chlorophenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 103765210
(4-bromo-2-sulfanylphenyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 107030064
(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 79955750
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 146126346

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone (CID 136532225) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone is Cc1cnccc1C(=O)N1CCN(C)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone?
The InChIKey is YOZZPUNOFVDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-11-17-8-7-13(12)16(20)19-10-9-18(2)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 136532225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).