5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one

C22H20N4O2 — CID 108809070

IUPAC5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)ccc2N1
InChIInChI=1S/C22H20N4O2/c27-21-14-17-13-16(5-7-19(17)24-21)22(28)26-11-9-25(10-12-26)20-8-6-15-3-1-2-4-18(15)23-20/h1-8,13H,9-12,14H2,(H,24,27)
InChIKeyLJRFKEXLYQCTMO-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.69
Rot. Bonds2

About 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one

5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 108809070) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID108809070
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)ccc2N1
InChIInChI=1S/C22H20N4O2/c27-21-14-17-13-16(5-7-19(17)24-21)22(28)26-11-9-25(10-12-26)20-8-6-15-3-1-2-4-18(15)23-20/h1-8,13H,9-12,14H2,(H,24,27)
InChIKeyLJRFKEXLYQCTMO-UHFFFAOYSA-N
XLogP2.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
5-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809049
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
5-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 166380387
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 108809003
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
pyridin-3-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 3030200
5-[4-(4-methoxybenzoyl)piperazin-1-yl]-1,3-dihydroindol-2-one
CID 110414687
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774

Frequently Asked Questions

What is the IUPAC name of 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one (CID 108809070) is 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)ccc2N1.
What is the InChIKey of 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is LJRFKEXLYQCTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-14-17-13-16(5-7-19(17)24-21)22(28)26-11-9-25(10-12-26)20-8-6-15-3-1-2-4-18(15)23-20/h1-8,13H,9-12,14H2,(H,24,27).
What are the key properties of 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one?
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 372.43 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 108809070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).