N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide

C22H23N3O2 — CID 47026492

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2nc1CC
InChIInChI=1S/C22H23N3O2/c1-3-17-18(4-2)25-20-12-15(9-10-19(20)24-17)22(26)23-13-16-11-14-7-5-6-8-21(14)27-16/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyQVBFOUACNWSXMH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.49
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide (PubChem CID 47026492) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
PubChem CID47026492
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2nc1CC
InChIInChI=1S/C22H23N3O2/c1-3-17-18(4-2)25-20-12-15(9-10-19(20)24-17)22(26)23-13-16-11-14-7-5-6-8-21(14)27-16/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,26)
InChIKeyQVBFOUACNWSXMH-UHFFFAOYSA-N
XLogP3.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethyl]benzamide
CID 19065269
N-[3-[[N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111949083

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide (CID 47026492) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide is CCc1nc2ccc(C(=O)NCC3Cc4ccccc4O3)cc2nc1CC.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
The InChIKey is QVBFOUACNWSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-17-18(4-2)25-20-12-15(9-10-19(20)24-17)22(26)23-13-16-11-14-7-5-6-8-21(14)27-16/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide is sourced from PubChem (CID 47026492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).