(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone

C22H21FN4O — CID 155669591

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H21FN4O/c23-17-7-5-16(6-8-17)14-25-15-24-13-21(25)22(28)27-12-11-26(18-9-10-18)19-3-1-2-4-20(19)27/h1-8,13,15,18H,9-12,14H2
InChIKeyYOYFGBZPWLVCSH-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.70
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone (PubChem CID 155669591) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
PubChem CID155669591
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
SMILESO=C(c1cncn1Cc1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C22H21FN4O/c23-17-7-5-16(6-8-17)14-25-15-24-13-21(25)22(28)27-12-11-26(18-9-10-18)19-3-1-2-4-20(19)27/h1-8,13,15,18H,9-12,14H2
InChIKeyYOYFGBZPWLVCSH-UHFFFAOYSA-N
XLogP3.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone (CID 155669591) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone is O=C(c1cncn1Cc1ccc(F)cc1)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone?
The InChIKey is YOYFGBZPWLVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-7-5-16(6-8-17)14-25-15-24-13-21(25)22(28)27-12-11-26(18-9-10-18)19-3-1-2-4-20(19)27/h1-8,13,15,18H,9-12,14H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone has a molecular weight of 376.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone is sourced from PubChem (CID 155669591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).