[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C20H18Cl2N4O — CID 166272767

IUPAC[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4O/c1-13-11-16(23-26(13)17-8-7-14(21)12-15(17)22)20(27)25-10-9-24(2)18-5-3-4-6-19(18)25/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAPTXYVFQIXIUKU-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.58
Rot. Bonds2

About [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 166272767) has the molecular formula C20H18Cl2N4O and a molecular weight of 401.30 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID166272767
Molecular FormulaC20H18Cl2N4O
Molecular Weight401.30 g/mol
Exact Mass400.09
IUPAC Name[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl2N4O/c1-13-11-16(23-26(13)17-8-7-14(21)12-15(17)22)20(27)25-10-9-24(2)18-5-3-4-6-19(18)25/h3-8,11-12H,9-10H2,1-2H3
InChIKeyAPTXYVFQIXIUKU-UHFFFAOYSA-N
XLogP4.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 166272767) is [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)c3ccccc32)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is APTXYVFQIXIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O/c1-13-11-16(23-26(13)17-8-7-14(21)12-15(17)22)20(27)25-10-9-24(2)18-5-3-4-6-19(18)25/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 401.30 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 166272767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).