6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine

C24H27N5O2 — CID 142681677

IUPAC6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
SMILESC1=COc2ccc(OCCCCN3CCN(c4cccc5cccnc45)CC3)nc2N1
InChIInChI=1S/C24H27N5O2/c1(2-17-31-22-9-8-21-24(27-22)26-11-18-30-21)12-28-13-15-29(16-14-28)20-7-3-5-19-6-4-10-25-23(19)20/h3-11,18H,1-2,12-17H2,(H,26,27)
InChIKeySRPLSRLQDYMQOB-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.89
Rot. Bonds7

About 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine

6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine (PubChem CID 142681677) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
PubChem CID142681677
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
SMILESC1=COc2ccc(OCCCCN3CCN(c4cccc5cccnc45)CC3)nc2N1
InChIInChI=1S/C24H27N5O2/c1(2-17-31-22-9-8-21-24(27-22)26-11-18-30-21)12-28-13-15-29(16-14-28)20-7-3-5-19-6-4-10-25-23(19)20/h3-11,18H,1-2,12-17H2,(H,26,27)
InChIKeySRPLSRLQDYMQOB-UHFFFAOYSA-N
XLogP3.89
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073526
7-[4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one
CID 21073645
6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 21073431
7-[4-[4-(2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69419353
4,4-dimethyl-7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-1H-pyrido[2,3-d][1,3]oxazin-2-one
CID 21073347
2-[4-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]butoxy]quinolin-8-ol
CID 72546880
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630
9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
CID 10527744
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
CID 21073534

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine (CID 142681677) is 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine is C1=COc2ccc(OCCCCN3CCN(c4cccc5cccnc45)CC3)nc2N1.
What is the InChIKey of 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is SRPLSRLQDYMQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1(2-17-31-22-9-8-21-24(27-22)26-11-18-30-21)12-28-13-15-29(16-14-28)20-7-3-5-19-6-4-10-25-23(19)20/h3-11,18H,1-2,12-17H2,(H,26,27).
What are the key properties of 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine?
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 417.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 142681677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).