N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide

C13H11N5O — CID 104580556

IUPACN-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cccc2nccnc12
InChIInChI=1S/C13H11N5O/c19-13(17-7-9-6-14-8-18-9)10-2-1-3-11-12(10)16-5-4-15-11/h1-6,8H,7H2,(H,14,18)(H,17,19)
InChIKeyHBWKOPQCUWVUJW-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.28
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide

N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide (PubChem CID 104580556) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
PubChem CID104580556
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide
SMILESO=C(NCc1cnc[nH]1)c1cccc2nccnc12
InChIInChI=1S/C13H11N5O/c19-13(17-7-9-6-14-8-18-9)10-2-1-3-11-12(10)16-5-4-15-11/h1-6,8H,7H2,(H,14,18)(H,17,19)
InChIKeyHBWKOPQCUWVUJW-UHFFFAOYSA-N
XLogP1.28
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]quinoxaline-5-carboxamide
CID 110701354
N-[[3-(hydroxymethyl)phenyl]methyl]quinoxaline-5-carboxamide
CID 131903322
N-(1H-imidazol-5-ylmethyl)-2,6-dimethylbenzamide
CID 113258424
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
3-amino-N-(1H-imidazol-5-ylmethyl)-2-nitrobenzamide
CID 115549231
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide (CID 104580556) is N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide is O=C(NCc1cnc[nH]1)c1cccc2nccnc12.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide?
The InChIKey is HBWKOPQCUWVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(17-7-9-6-14-8-18-9)10-2-1-3-11-12(10)16-5-4-15-11/h1-6,8H,7H2,(H,14,18)(H,17,19).
What are the key properties of N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide?
N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 104580556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).