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N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide

C21H22ClN3O2 — CID 50779973

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
SMILESCCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H22ClN3O2/c1-5-8-27-21-19(20(26)23-15-7-6-12(2)16(22)11-15)24-17-9-13(3)14(4)10-18(17)25-21/h6-7,9-11H,5,8H2,1-4H3,(H,23,26)
InChIKeyVEIDQWJFXRCYOD-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.25
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide

N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide (PubChem CID 50779973) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
PubChem CID50779973
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
SMILESCCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C21H22ClN3O2/c1-5-8-27-21-19(20(26)23-15-7-6-12(2)16(22)11-15)24-17-9-13(3)14(4)10-18(17)25-21/h6-7,9-11H,5,8H2,1-4H3,(H,23,26)
InChIKeyVEIDQWJFXRCYOD-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide (CID 50779973) is N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide is CCCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
The InChIKey is VEIDQWJFXRCYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-5-8-27-21-19(20(26)23-15-7-6-12(2)16(22)11-15)24-17-9-13(3)14(4)10-18(17)25-21/h6-7,9-11H,5,8H2,1-4H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide?
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 50779973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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