4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline

C24H23N5 — CID 108777250

IUPAC4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)nc2ccccc12
InChIInChI=1S/C24H23N5/c1-18-17-24(25-22-10-6-5-9-20(18)22)29-15-13-28(14-16-29)23-12-11-21(26-27-23)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyBZSKDPZMDGOOPP-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.33
Rot. Bonds3

About 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline

4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline (PubChem CID 108777250) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
PubChem CID108777250
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
SMILESCc1cc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)nc2ccccc12
InChIInChI=1S/C24H23N5/c1-18-17-24(25-22-10-6-5-9-20(18)22)29-15-13-28(14-16-29)23-12-11-21(26-27-23)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyBZSKDPZMDGOOPP-UHFFFAOYSA-N
XLogP4.33
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline (CID 108777250) is 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline is Cc1cc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline?
The InChIKey is BZSKDPZMDGOOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-18-17-24(25-22-10-6-5-9-20(18)22)29-15-13-28(14-16-29)23-12-11-21(26-27-23)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3.
What are the key properties of 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline?
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline has a molecular weight of 381.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline is sourced from PubChem (CID 108777250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).