N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide

C16H19N5O — CID 91901456

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC1=C(C)Nc2cc(C(=O)NCCc3ncc[nH]3)ccc2N1
InChIInChI=1S/C16H19N5O/c1-10-11(2)21-14-9-12(3-4-13(14)20-10)16(22)19-6-5-15-17-7-8-18-15/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyURDRJUKIJPUYRJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 91901456) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID91901456
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
SMILESCC1=C(C)Nc2cc(C(=O)NCCc3ncc[nH]3)ccc2N1
InChIInChI=1S/C16H19N5O/c1-10-11(2)21-14-9-12(3-4-13(14)20-10)16(22)19-6-5-15-17-7-8-18-15/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyURDRJUKIJPUYRJ-UHFFFAOYSA-N
XLogP2.47
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
N-[4-(1H-imidazol-2-yl)butyl]-4-methyl-3-methylsulfonylbenzamide
CID 138047388
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide (CID 91901456) is N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide is CC1=C(C)Nc2cc(C(=O)NCCc3ncc[nH]3)ccc2N1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is URDRJUKIJPUYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-11(2)21-14-9-12(3-4-13(14)20-10)16(22)19-6-5-15-17-7-8-18-15/h3-4,7-9,20-21H,5-6H2,1-2H3,(H,17,18)(H,19,22).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91901456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).