3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine

C30H34N6O — CID 67693861

IUPAC3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)c(N4CCN(C)CC4)c23)CC1
InChIInChI=1S/C30H34N6O/c1-33-15-19-35(20-16-33)26-10-6-9-24-11-13-27(30(29(24)26)36-21-17-34(2)18-22-36)37-28-14-12-25(31-32-28)23-7-4-3-5-8-23/h3-14H,15-22H2,1-2H3
InChIKeyWSXOTHPGDLXAJG-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.59
Rot. Bonds5

About 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine

3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine (PubChem CID 67693861) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine.

Molecular Properties

Compound Name3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
PubChem CID67693861
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
SMILESCN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)c(N4CCN(C)CC4)c23)CC1
InChIInChI=1S/C30H34N6O/c1-33-15-19-35(20-16-33)26-10-6-9-24-11-13-27(30(29(24)26)36-21-17-34(2)18-22-36)37-28-14-12-25(31-32-28)23-7-4-3-5-8-23/h3-14H,15-22H2,1-2H3
InChIKeyWSXOTHPGDLXAJG-UHFFFAOYSA-N
XLogP4.59
TPSA47.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Methyl-4-[7-[(6-methyl-4-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
CID 22115569
3-[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
CID 22115602
1-Methyl-4-[7-[(6-phenyl-2-pyridinyl)methoxy]naphthalen-1-yl]piperazine
CID 22115611
3-Methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
CID 22115691
5-[[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine
CID 22115705
12-(3,5-Diphenylpyridazin-4-yl)benzo[a]phenoxazine
CID 145009876
2-(3,5-Diphenylpyridazin-4-yl)-13-oxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 145009927
4-[4-Chloro-1-methyl-7-(7-phenylmethoxyheptoxy)phthalazin-6-yl]morpholine
CID 169313415
3-[3-[[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]phenyl]pyridazine
CID 174369516
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-5H-pyridazino[3,4-b][1,4]benzoxazine
CID 22432316

Frequently Asked Questions

What is the IUPAC name of 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The IUPAC name of 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine (CID 67693861) is 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine.
What is the SMILES notation for 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The canonical SMILES for 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine is CN1CCN(c2cccc3ccc(Oc4ccc(-c5ccccc5)nn4)c(N4CCN(C)CC4)c23)CC1.
What is the InChIKey of 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
The InChIKey is WSXOTHPGDLXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-33-15-19-35(20-16-33)26-10-6-9-24-11-13-27(30(29(24)26)36-21-17-34(2)18-22-36)37-28-14-12-25(31-32-28)23-7-4-3-5-8-23/h3-14H,15-22H2,1-2H3.
What are the key properties of 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine?
3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine has a molecular weight of 494.64 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,8-bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine is sourced from PubChem (CID 67693861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).