(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone

C17H11ClN4O — CID 86041360

IUPAC(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone
SMILESCc1nn(C(=O)c2cccc(Cl)c2)c2nc3ccccc3nc12
InChIInChI=1S/C17H11ClN4O/c1-10-15-16(20-14-8-3-2-7-13(14)19-15)22(21-10)17(23)11-5-4-6-12(18)9-11/h2-9H,1H3
InChIKeyCTVYTZXBOXJYCE-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.63
Rot. Bonds1

About (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone

(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone (PubChem CID 86041360) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone
PubChem CID86041360
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone
SMILESCc1nn(C(=O)c2cccc(Cl)c2)c2nc3ccccc3nc12
InChIInChI=1S/C17H11ClN4O/c1-10-15-16(20-14-8-3-2-7-13(14)19-15)22(21-10)17(23)11-5-4-6-12(18)9-11/h2-9H,1H3
InChIKeyCTVYTZXBOXJYCE-UHFFFAOYSA-N
XLogP3.63
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone (CID 86041360) is (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone is Cc1nn(C(=O)c2cccc(Cl)c2)c2nc3ccccc3nc12.
What is the InChIKey of (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone?
The InChIKey is CTVYTZXBOXJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c1-10-15-16(20-14-8-3-2-7-13(14)19-15)22(21-10)17(23)11-5-4-6-12(18)9-11/h2-9H,1H3.
What are the key properties of (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone?
(3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone has a molecular weight of 322.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)methanone is sourced from PubChem (CID 86041360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).