6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C25H32N4O3 — CID 21073431

IUPAC6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O3/c30-23-18-32-22-10-11-24(27-25(22)26-23)31-17-4-3-12-28-13-15-29(16-14-28)21-9-5-7-19-6-1-2-8-20(19)21/h5,7,9-11H,1-4,6,8,12-18H2,(H,26,27,30)
InChIKeyZXEHFRJHBYXGKM-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.27
Rot. Bonds7

About 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 21073431) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID21073431
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESO=C1COc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O3/c30-23-18-32-22-10-11-24(27-25(22)26-23)31-17-4-3-12-28-13-15-29(16-14-28)21-9-5-7-19-6-1-2-8-20(19)21/h5,7,9-11H,1-4,6,8,12-18H2,(H,26,27,30)
InChIKeyZXEHFRJHBYXGKM-UHFFFAOYSA-N
XLogP3.27
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4,5,6-tetrahydro-1H-pyrido[2,3-d][1,3]diazocin-2-one
CID 143300653
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
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
7-[3-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073475
7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
CID 21073805
7-[4-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
7-[4-[4-(2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69419353
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
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
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-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 20795261

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 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) is 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(OCCCCN3CCN(c4cccc5c4CCCC5)CC3)nc2N1.
What is the InChIKey of 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is ZXEHFRJHBYXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-23-18-32-22-10-11-24(27-25(22)26-23)31-17-4-3-12-28-13-15-29(16-14-28)21-9-5-7-19-6-1-2-8-20(19)21/h5,7,9-11H,1-4,6,8,12-18H2,(H,26,27,30).
What are the key properties of 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 436.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 21073431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).