N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide

C23H23N5O — CID 42796388

IUPACN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C23H23N5O/c1-17(7-8-18-5-3-2-4-6-18)28(15-20-14-24-16-27-20)23(29)19-9-10-21-22(13-19)26-12-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3,(H,24,27)
InChIKeyBYKPBRVSUZYOOA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.02
Rot. Bonds7

About N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide

N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide (PubChem CID 42796388) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
PubChem CID42796388
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide
SMILESCC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C23H23N5O/c1-17(7-8-18-5-3-2-4-6-18)28(15-20-14-24-16-27-20)23(29)19-9-10-21-22(13-19)26-12-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3,(H,24,27)
InChIKeyBYKPBRVSUZYOOA-UHFFFAOYSA-N
XLogP4.02
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391
N-(1H-imidazol-2-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42786814
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
3-[propan-2-yl(quinoxaline-6-carbonyl)amino]propanoic acid
CID 62849526
N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 42789426
N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
CID 23654612
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)quinoline-2-carboxamide
CID 42796393
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide (CID 42796388) is N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide is CC(CCc1ccccc1)N(Cc1cnc[nH]1)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide?
The InChIKey is BYKPBRVSUZYOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17(7-8-18-5-3-2-4-6-18)28(15-20-14-24-16-27-20)23(29)19-9-10-21-22(13-19)26-12-11-25-21/h2-6,9-14,16-17H,7-8,15H2,1H3,(H,24,27).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide?
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 42796388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).