(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

C17H21N5O — CID 54584300

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21
InChIInChI=1S/C17H21N5O/c1-20-8-9-22(16-5-3-2-4-15(16)20)17(23)21-7-6-13(12-21)14-10-18-19-11-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,19)
InChIKeyBZXHBXVWXIMYMX-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.28
Rot. Bonds1

About (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone

(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 54584300) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID54584300
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21
InChIInChI=1S/C17H21N5O/c1-20-8-9-22(16-5-3-2-4-15(16)20)17(23)21-7-6-13(12-21)14-10-18-19-11-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,19)
InChIKeyBZXHBXVWXIMYMX-UHFFFAOYSA-N
XLogP2.28
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 54584300) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is CN1CCN(C(=O)N2CCC(c3cn[nH]c3)C2)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is BZXHBXVWXIMYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-20-8-9-22(16-5-3-2-4-15(16)20)17(23)21-7-6-13(12-21)14-10-18-19-11-14/h2-5,10-11,13H,6-9,12H2,1H3,(H,18,19).
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 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-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 54584300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).