7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide

C22H20FN5O — CID 55823334

IUPAC7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NCc3ccccc3Cn3ccnc3)c2nc1C
InChIInChI=1S/C22H20FN5O/c1-14-15(2)27-21-19(9-18(23)10-20(21)26-14)22(29)25-11-16-5-3-4-6-17(16)12-28-8-7-24-13-28/h3-10,13H,11-12H2,1-2H3,(H,25,29)
InChIKeyHRPPPQLNHJEQDW-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.56
Rot. Bonds5

About 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide

7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide (PubChem CID 55823334) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
PubChem CID55823334
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide
SMILESCc1nc2cc(F)cc(C(=O)NCc3ccccc3Cn3ccnc3)c2nc1C
InChIInChI=1S/C22H20FN5O/c1-14-15(2)27-21-19(9-18(23)10-20(21)26-14)22(29)25-11-16-5-3-4-6-17(16)12-28-8-7-24-13-28/h3-10,13H,11-12H2,1-2H3,(H,25,29)
InChIKeyHRPPPQLNHJEQDW-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-2,3-dimethyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoxaline-5-carboxamide
CID 47057006
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406
2,4-dichloro-5-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24676423
6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55871851
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
CID 55507398
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24676414
7-fluoro-2,3-dimethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]quinoxaline-5-carboxamide
CID 112841648
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 24676373
7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide
CID 51964973
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide?
The IUPAC name of 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide (CID 55823334) is 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide is Cc1nc2cc(F)cc(C(=O)NCc3ccccc3Cn3ccnc3)c2nc1C.
What is the InChIKey of 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide?
The InChIKey is HRPPPQLNHJEQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-15(2)27-21-19(9-18(23)10-20(21)26-14)22(29)25-11-16-5-3-4-6-17(16)12-28-8-7-24-13-28/h3-10,13H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide?
7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylquinoxaline-5-carboxamide is sourced from PubChem (CID 55823334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).