N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

C27H23FN6O2 — CID 118453991

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-20-5-2-18(3-6-20)25-26(34-9-11-36-12-10-34)33-22-8-4-19(14-24(22)32-25)27(35)29-15-17-1-7-21-23(13-17)31-16-30-21/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,31)
InChIKeyLMBKIJZIYQZHOP-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.08
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide

N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (PubChem CID 118453991) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
PubChem CID118453991
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
SMILESO=C(NCc1ccc2nc[nH]c2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C27H23FN6O2/c28-20-5-2-18(3-6-20)25-26(34-9-11-36-12-10-34)33-22-8-4-19(14-24(22)32-25)27(35)29-15-17-1-7-21-23(13-17)31-16-30-21/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,31)
InChIKeyLMBKIJZIYQZHOP-UHFFFAOYSA-N
XLogP4.08
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(Z)-5-amino-4-methanimidoylpent-4-enyl]-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 144948965
N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
CID 131920003
3-(4-chlorophenyl)-N-[3-(1H-imidazol-2-yl)propyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 118463936
3-(4-fluorophenyl)-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyridin-3-yloxyethyl)quinoxaline-6-carboxamide
CID 118463676
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylate
CID 70664630
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
4-fluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966739
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110743625
N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide (CID 118453991) is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is O=C(NCc1ccc2nc[nH]c2c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
The InChIKey is LMBKIJZIYQZHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c28-20-5-2-18(3-6-20)25-26(34-9-11-36-12-10-34)33-22-8-4-19(14-24(22)32-25)27(35)29-15-17-1-7-21-23(13-17)31-16-30-21/h1-8,13-14,16H,9-12,15H2,(H,29,35)(H,30,31).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide?
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)-2-morpholin-4-ylquinoxaline-6-carboxamide is sourced from PubChem (CID 118453991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).