3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide

C25H25ClN6O2 — CID 118463936

IUPAC3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(N3CCOCC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C25H25ClN6O2/c26-19-6-3-17(4-7-19)23-24(32-12-14-34-15-13-32)31-20-8-5-18(16-21(20)30-23)25(33)29-9-1-2-22-27-10-11-28-22/h3-8,10-11,16H,1-2,9,12-15H2,(H,27,28)(H,29,33)
InChIKeyGNLROQKWQWUHQR-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.87
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide

3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 118463936) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID118463936
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)c1ccc2nc(N3CCOCC3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C25H25ClN6O2/c26-19-6-3-17(4-7-19)23-24(32-12-14-34-15-13-32)31-20-8-5-18(16-21(20)30-23)25(33)29-9-1-2-22-27-10-11-28-22/h3-8,10-11,16H,1-2,9,12-15H2,(H,27,28)(H,29,33)
InChIKeyGNLROQKWQWUHQR-UHFFFAOYSA-N
XLogP3.87
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-(2,4,5-trifluorophenyl)quinoxaline-6-carboxamide
CID 118463473
2-(4-fluorophenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463972
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
3-(5-cyano-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463748
N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 144948965
3-(3-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463759
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 118453991
2-[(3,3-difluorocyclobutyl)methoxy]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463564
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-[3-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
CID 118463719
3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(1H-pyrazol-4-ylmethoxy)quinoxaline-6-carboxamide
CID 118463744
3-(4-fluorophenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyridin-3-yloxyethyl)quinoxaline-6-carboxamide
CID 118463676
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[3-(1H-imidazol-2-yl)propyl]-1-methylbenzimidazole-5-carboxamide
CID 91793735

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 118463936) is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is O=C(NCCCc1ncc[nH]1)c1ccc2nc(N3CCOCC3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is GNLROQKWQWUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c26-19-6-3-17(4-7-19)23-24(32-12-14-34-15-13-32)31-20-8-5-18(16-21(20)30-23)25(33)29-9-1-2-22-27-10-11-28-22/h3-8,10-11,16H,1-2,9,12-15H2,(H,27,28)(H,29,33).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide?
3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 476.97 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 118463936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).