furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone

C22H16N4O2 — CID 2963406

IUPACfuran-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1
InChIInChI=1S/C22H16N4O2/c27-22(21-7-4-12-28-21)26-20(15-5-2-1-3-6-15)14-18(25-26)16-8-9-17-19(13-16)24-11-10-23-17/h1-13,20H,14H2
InChIKeyMSBVKZAFTAJHRB-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.21
Rot. Bonds3

About furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone

furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 2963406) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID2963406
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Namefuran-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccco1)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1
InChIInChI=1S/C22H16N4O2/c27-22(21-7-4-12-28-21)26-20(15-5-2-1-3-6-15)14-18(25-26)16-8-9-17-19(13-16)24-11-10-23-17/h1-13,20H,14H2
InChIKeyMSBVKZAFTAJHRB-UHFFFAOYSA-N
XLogP4.21
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone (CID 2963406) is furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccco1)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1.
What is the InChIKey of furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is MSBVKZAFTAJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-22(21-7-4-12-28-21)26-20(15-5-2-1-3-6-15)14-18(25-26)16-8-9-17-19(13-16)24-11-10-23-17/h1-13,20H,14H2.
What are the key properties of furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone?
furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 368.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-phenyl-5-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 2963406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).