6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

C23H24N4O2 — CID 10452875

IUPAC6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1
InChIInChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28)
InChIKeyRAKPJSOFWXNMNH-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.93
Rot. Bonds4

About 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one

6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 10452875) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID10452875
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1
InChIInChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28)
InChIKeyRAKPJSOFWXNMNH-UHFFFAOYSA-N
XLogP2.93
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

SB-649,915
CID 10296414
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 9909089
7-fluoro-6-[[1-[2-(7-fluoro-2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 9934284
6-[2-[4-(2-methyl-1H-indol-4-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 9977716
4-Methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 9979309
6-[2-[4-(2,7-dimethylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10001971
6-[2-(4-isoquinolin-1-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 10023176
4-Ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 10048342
6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
CID 10048343
6-[2-[4-(7-chloro-2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10071738
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one (CID 10452875) is 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CCN3CCN(c4cccc5cccnc45)CC3)cc2N1.
What is the InChIKey of 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is RAKPJSOFWXNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28).
What are the key properties of 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one?
6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 388.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-quinolin-8-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10452875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).