N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide

C17H19N3O2 — CID 46382930

IUPACN-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C)c3ccccc32)c1
InChIInChI=1S/C17H19N3O2/c1-19-10-11-20(16-9-4-3-8-15(16)19)17(21)18-13-6-5-7-14(12-13)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyKJMPKKDIBGALFI-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.18
Rot. Bonds2

About N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide

N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 46382930) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID46382930
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C)c3ccccc32)c1
InChIInChI=1S/C17H19N3O2/c1-19-10-11-20(16-9-4-3-8-15(16)19)17(21)18-13-6-5-7-14(12-13)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,21)
InChIKeyKJMPKKDIBGALFI-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide (CID 46382930) is N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide is COc1cccc(NC(=O)N2CCN(C)c3ccccc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is KJMPKKDIBGALFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-10-11-20(16-9-4-3-8-15(16)19)17(21)18-13-6-5-7-14(12-13)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide?
N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 46382930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).