(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

C22H22N4O2 — CID 167961695

IUPAC(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCc1nnc(-c2ccc(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cc2)o1
InChIInChI=1S/C22H22N4O2/c1-14-4-3-5-19-20(14)25(18-10-11-18)12-13-26(19)22(27)17-8-6-16(7-9-17)21-24-23-15(2)28-21/h3-9,18H,10-13H2,1-2H3
InChIKeyHPGXFZBNBKUPCS-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.98
Rot. Bonds3

About (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone

(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (PubChem CID 167961695) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
PubChem CID167961695
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
SMILESCc1nnc(-c2ccc(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cc2)o1
InChIInChI=1S/C22H22N4O2/c1-14-4-3-5-19-20(14)25(18-10-11-18)12-13-26(19)22(27)17-8-6-16(7-9-17)21-24-23-15(2)28-21/h3-9,18H,10-13H2,1-2H3
InChIKeyHPGXFZBNBKUPCS-UHFFFAOYSA-N
XLogP3.98
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The IUPAC name of (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone (CID 167961695) is (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is Cc1nnc(-c2ccc(C(=O)N3CCN(C4CC4)c4c(C)cccc43)cc2)o1.
What is the InChIKey of (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
The InChIKey is HPGXFZBNBKUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-4-3-5-19-20(14)25(18-10-11-18)12-13-26(19)22(27)17-8-6-16(7-9-17)21-24-23-15(2)28-21/h3-9,18H,10-13H2,1-2H3.
What are the key properties of (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone?
(4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-5-methyl-2,3-dihydroquinoxalin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 167961695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).