(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone

C18H17N5O — CID 119041898

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21
InChIInChI=1S/C18H17N5O/c1-21-12-13-22(16-8-3-2-7-15(16)21)18(24)14-6-4-9-17(20-14)23-11-5-10-19-23/h2-11H,12-13H2,1H3
InChIKeyKCYPXZVQZAPLIE-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.36
Rot. Bonds2

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 119041898) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID119041898
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21
InChIInChI=1S/C18H17N5O/c1-21-12-13-22(16-8-3-2-7-15(16)21)18(24)14-6-4-9-17(20-14)23-11-5-10-19-23/h2-11H,12-13H2,1H3
InChIKeyKCYPXZVQZAPLIE-UHFFFAOYSA-N
XLogP2.36
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone (CID 119041898) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone is CN1CCN(C(=O)c2cccc(-n3cccn3)n2)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is KCYPXZVQZAPLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-21-12-13-22(16-8-3-2-7-15(16)21)18(24)14-6-4-9-17(20-14)23-11-5-10-19-23/h2-11H,12-13H2,1H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 319.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(6-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 119041898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).