N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide

C21H19ClN6O — CID 102011257

IUPACN'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2nc3cc(Cl)ccc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C21H19ClN6O/c1-12-4-6-15(7-5-12)21(29)26-25-19-20(28-14(3)10-13(2)27-28)24-17-9-8-16(22)11-18(17)23-19/h4-11H,1-3H3,(H,23,25)(H,26,29)
InChIKeyZEWNRZMKCYTTSI-UHFFFAOYSA-N
MW406.88 g/mol
LogP4.15
Rot. Bonds4

About N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide

N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide (PubChem CID 102011257) has the molecular formula C21H19ClN6O and a molecular weight of 406.88 g/mol. Its IUPAC name is N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
PubChem CID102011257
Molecular FormulaC21H19ClN6O
Molecular Weight406.88 g/mol
Exact Mass406.13
IUPAC NameN'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2nc3cc(Cl)ccc3nc2-n2nc(C)cc2C)cc1
InChIInChI=1S/C21H19ClN6O/c1-12-4-6-15(7-5-12)21(29)26-25-19-20(28-14(3)10-13(2)27-28)24-17-9-8-16(22)11-18(17)23-19/h4-11H,1-3H3,(H,23,25)(H,26,29)
InChIKeyZEWNRZMKCYTTSI-UHFFFAOYSA-N
XLogP4.15
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide?
The IUPAC name of N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide (CID 102011257) is N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2nc3cc(Cl)ccc3nc2-n2nc(C)cc2C)cc1.
What is the InChIKey of N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide?
The InChIKey is ZEWNRZMKCYTTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O/c1-12-4-6-15(7-5-12)21(29)26-25-19-20(28-14(3)10-13(2)27-28)24-17-9-8-16(22)11-18(17)23-19/h4-11H,1-3H3,(H,23,25)(H,26,29).
What are the key properties of N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide?
N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide has a molecular weight of 406.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-chloro-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]-4-methylbenzohydrazide is sourced from PubChem (CID 102011257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).