6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one

C24H26N4O2 — CID 10363755

IUPAC6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCCN3CCN(c4ccc5ccccc5n4)CC3)cc2N1
InChIInChI=1S/C24H26N4O2/c29-24-17-30-22-9-7-18(16-21(22)26-24)4-3-11-27-12-14-28(15-13-27)23-10-8-19-5-1-2-6-20(19)25-23/h1-2,5-10,16H,3-4,11-15,17H2,(H,26,29)
InChIKeyJMTFMPVRUMOQCQ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.32
Rot. Bonds5

About 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one

6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one (PubChem CID 10363755) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one
PubChem CID10363755
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCCN3CCN(c4ccc5ccccc5n4)CC3)cc2N1
InChIInChI=1S/C24H26N4O2/c29-24-17-30-22-9-7-18(16-21(22)26-24)4-3-11-27-12-14-28(15-13-27)23-10-8-19-5-1-2-6-20(19)25-23/h1-2,5-10,16H,3-4,11-15,17H2,(H,26,29)
InChIKeyJMTFMPVRUMOQCQ-UHFFFAOYSA-N
XLogP3.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-[3-[4-(7-fluoro-2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
CID 10433062
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139
6-[3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one
CID 68941662
7-[2-(4-phenylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 19752235
6-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 58896923
6-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 21263905
6-[2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10429675
6-[2-[4-(6-fluoro-1-benzothiophen-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 129186540
6-(2-quinolin-2-ylsulfanylacetyl)-4H-1,4-benzoxazin-3-one
CID 7755416
6-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10159927
2-[3-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propyl]isoindole-1,3-dione
CID 19092118
5-(4-quinolin-2-ylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 108809070

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one (CID 10363755) is 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CCCN3CCN(c4ccc5ccccc5n4)CC3)cc2N1.
What is the InChIKey of 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is JMTFMPVRUMOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24-17-30-22-9-7-18(16-21(22)26-24)4-3-11-27-12-14-28(15-13-27)23-10-8-19-5-1-2-6-20(19)25-23/h1-2,5-10,16H,3-4,11-15,17H2,(H,26,29).
What are the key properties of 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one?
6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-quinolin-2-ylpiperazin-1-yl)propyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10363755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).