3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide

C25H26FN5O3 — CID 118463811

IUPAC3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1ccc(F)c(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2OC(C)C)c1
InChIInChI=1S/C25H26FN5O3/c1-15(2)34-25-23(18-14-17(33-3)7-8-19(18)26)30-21-13-16(6-9-20(21)31-25)24(32)29-10-4-5-22-27-11-12-28-22/h6-9,11-15H,4-5,10H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyAAKQZBYCCLKQHH-UHFFFAOYSA-N
MW463.51 g/mol
LogP4.32
Rot. Bonds9

About 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide

3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide (PubChem CID 118463811) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide
PubChem CID118463811
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC Name3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide
SMILESCOc1ccc(F)c(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2OC(C)C)c1
InChIInChI=1S/C25H26FN5O3/c1-15(2)34-25-23(18-14-17(33-3)7-8-19(18)26)30-21-13-16(6-9-20(21)31-25)24(32)29-10-4-5-22-27-11-12-28-22/h6-9,11-15H,4-5,10H2,1-3H3,(H,27,28)(H,29,32)
InChIKeyAAKQZBYCCLKQHH-UHFFFAOYSA-N
XLogP4.32
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide with MolForge

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Related Compounds

N-[4-(2-aminoethylideneamino)butyl]-3-(2-fluoro-5-methoxyphenyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
CID 123467632
N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxy-3-[3-(trifluoromethylsulfanyl)phenyl]quinoxaline-6-carboxamide
CID 118463636
3-(3-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463759
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
3-(5-cyano-2-fluorophenyl)-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463748
2-cyclobutyloxy-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 123784850
2-[(3,3-difluorocyclobutyl)methoxy]-3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]quinoxaline-6-carboxamide
CID 118463564
3-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-(1H-pyrazol-4-ylmethoxy)quinoxaline-6-carboxamide
CID 118463744
2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-3-[3-(trifluoromethoxy)phenyl]quinoxaline-6-carboxamide
CID 118463719
3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 118463936
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)propylamino]-3-oxopropyl]benzamide
CID 135115730

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide?
The IUPAC name of 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide (CID 118463811) is 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide.
What is the SMILES notation for 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide?
The canonical SMILES for 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide is COc1ccc(F)c(-c2nc3cc(C(=O)NCCCc4ncc[nH]4)ccc3nc2OC(C)C)c1.
What is the InChIKey of 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide?
The InChIKey is AAKQZBYCCLKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-15(2)34-25-23(18-14-17(33-3)7-8-19(18)26)30-21-13-16(6-9-20(21)31-25)24(32)29-10-4-5-22-27-11-12-28-22/h6-9,11-15H,4-5,10H2,1-3H3,(H,27,28)(H,29,32).
What are the key properties of 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide?
3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide has a molecular weight of 463.51 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methoxyphenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-propan-2-yloxyquinoxaline-6-carboxamide is sourced from PubChem (CID 118463811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).