5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

C19H21N5O — CID 120958991

IUPAC5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2c3c(nc4ccccc24)CCC3)n1
InChIInChI=1S/C19H21N5O/c1-24-10-9-20-11-16(24)18-22-19(25-23-18)17-12-5-2-3-7-14(12)21-15-8-4-6-13(15)17/h2-3,5,7,16,20H,4,6,8-11H2,1H3
InChIKeyIEZQXDJODRMTGS-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.35
Rot. Bonds2

About 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (PubChem CID 120958991) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
PubChem CID120958991
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCNCC1c1noc(-c2c3c(nc4ccccc24)CCC3)n1
InChIInChI=1S/C19H21N5O/c1-24-10-9-20-11-16(24)18-22-19(25-23-18)17-12-5-2-3-7-14(12)21-15-8-4-6-13(15)17/h2-3,5,7,16,20H,4,6,8-11H2,1H3
InChIKeyIEZQXDJODRMTGS-UHFFFAOYSA-N
XLogP2.35
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(2-methylphenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959013
5-isoquinolin-1-yl-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961025
3-(1-methylpiperazin-2-yl)-5-(2-phenyl-1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 120960263
5-(2-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960657
3-(1-methylpiperazin-2-yl)-5-(2-methylquinolin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120960478
3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole;hydrochloride
CID 120957289
5-(4-bromophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957626
5-(4-iodophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957632
5-(4-methyl-2-phenyl-1,3-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958423
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120957007
5-(2,3-difluorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956485
3-(1-methylpiperazin-2-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazole
CID 120958353

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole (CID 120958991) is 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is CN1CCNCC1c1noc(-c2c3c(nc4ccccc24)CCC3)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
The InChIKey is IEZQXDJODRMTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-10-9-20-11-16(24)18-22-19(25-23-18)17-12-5-2-3-7-14(12)21-15-8-4-6-13(15)17/h2-3,5,7,16,20H,4,6,8-11H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 120958991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).