N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide

C18H18ClN3O2 — CID 110747387

IUPACN-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide
SMILESCC(C)N1C(=O)CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-12(2)22-16-6-4-3-5-15(16)21(11-17(22)23)18(24)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,24)
InChIKeyONIAOXUAAROXNF-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.13
Rot. Bonds2

About N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide

N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide (PubChem CID 110747387) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide
PubChem CID110747387
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide
SMILESCC(C)N1C(=O)CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C18H18ClN3O2/c1-12(2)22-16-6-4-3-5-15(16)21(11-17(22)23)18(24)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,24)
InChIKeyONIAOXUAAROXNF-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide (CID 110747387) is N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide is CC(C)N1C(=O)CN(C(=O)Nc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide?
The InChIKey is ONIAOXUAAROXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12(2)22-16-6-4-3-5-15(16)21(11-17(22)23)18(24)20-14-9-7-13(19)8-10-14/h3-10,12H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide?
N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide is sourced from PubChem (CID 110747387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).