N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide

C19H15N3O2 — CID 140966924

IUPACN-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c1-12-18(22-16-8-4-3-7-15(16)21-12)19(23)20-11-14-10-13-6-2-5-9-17(13)24-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyPRFKLONIPKUIKP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.61
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide

N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide (PubChem CID 140966924) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
PubChem CID140966924
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
SMILESCc1nc2ccccc2nc1C(=O)NCc1cc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c1-12-18(22-16-8-4-3-7-15(16)21-12)19(23)20-11-14-10-13-6-2-5-9-17(13)24-14/h2-10H,11H2,1H3,(H,20,23)
InChIKeyPRFKLONIPKUIKP-UHFFFAOYSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(5-amino-1-benzofuran-2-yl)methyl]-3-methyl-4-oxidoquinoxalin-4-ium-2-carboxamide
CID 67778312
N-[[5-(2-hydroxypropan-2-yl)-1-benzofuran-2-yl]methyl]-3-methyl-4-oxidoquinoxalin-4-ium-2-carboxamide
CID 67777839
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]benzamide
CID 87018603
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 87018608
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 126777983
N-(1-benzofuran-2-ylmethyl)-1-cyclopropyl-4-methyl-2-oxopyridine-3-carboxamide
CID 172665635
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 146084461

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide (CID 140966924) is N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide is Cc1nc2ccccc2nc1C(=O)NCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide?
The InChIKey is PRFKLONIPKUIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-18(22-16-8-4-3-7-15(16)21-12)19(23)20-11-14-10-13-6-2-5-9-17(13)24-14/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide?
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 140966924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).