2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide

C20H15ClFN5O — CID 118454068

IUPAC2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H15ClFN5O/c21-19-18(12-1-4-14(22)5-2-12)26-16-11-13(3-6-15(16)27-19)20(28)25-8-7-17-23-9-10-24-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,28)
InChIKeyNDZIJTBUVRUMAW-UHFFFAOYSA-N
MW395.83 g/mol
LogP3.78
Rot. Bonds5

About 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide

2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 118454068) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID118454068
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC Name2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C20H15ClFN5O/c21-19-18(12-1-4-14(22)5-2-12)26-16-11-13(3-6-15(16)27-19)20(28)25-8-7-17-23-9-10-24-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,28)
InChIKeyNDZIJTBUVRUMAW-UHFFFAOYSA-N
XLogP3.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

IN-1130
CID 11676119
4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-6-[(1H-imidazol-4-ylmethyl)amino]-N,N-dimethylquinoline-8-carboxamide
CID 17759675
2-(2-(4-Chlorophenyl)-1h-Imidazol-5-Yl)-N,1-Bis(2-Methoxyethyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 53475688
1-[(3,5-dichloro-2-pyridinyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132339
N-(5-chloropyridin-2-yl)quinoxaline-6-carboxamide
CID 829897
N-(4chlorophenethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 2098715
3H-benzimidazol-5-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 2510481
N-(5-methyl-2-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 24686534
N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 1512222
1-[4-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 2469376
3-[[4-[4-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]-2-cyclopropyl-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzamide
CID 44448748
N-[3-(1H-imidazol-1-yl)propyl]quinoxaline-6-carboxamide
CID 2981563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide (CID 118454068) is 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is O=C(NCCc1ncc[nH]1)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is NDZIJTBUVRUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c21-19-18(12-1-4-14(22)5-2-12)26-16-11-13(3-6-15(16)27-19)20(28)25-8-7-17-23-9-10-24-17/h1-6,9-11H,7-8H2,(H,23,24)(H,25,28).
What are the key properties of 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide?
2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 395.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-fluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118454068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).