2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline

C22H33N3 — CID 153459065

IUPAC2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cccc3c(C(C)(C)C)cc(C(C)(C)C)nc23)CC1
InChIInChI=1S/C22H33N3/c1-21(2,3)17-15-19(22(4,5)6)23-20-16(17)9-8-10-18(20)25-13-11-24(7)12-14-25/h8-10,15H,11-14H2,1-7H3
InChIKeyOTRLWNOJCIOKIG-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.58
Rot. Bonds1

About 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline

2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline (PubChem CID 153459065) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline
PubChem CID153459065
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline
SMILESCN1CCN(c2cccc3c(C(C)(C)C)cc(C(C)(C)C)nc23)CC1
InChIInChI=1S/C22H33N3/c1-21(2,3)17-15-19(22(4,5)6)23-20-16(17)9-8-10-18(20)25-13-11-24(7)12-14-25/h8-10,15H,11-14H2,1-7H3
InChIKeyOTRLWNOJCIOKIG-UHFFFAOYSA-N
XLogP4.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-ditert-butyl-N-propan-2-ylquinolin-8-amine
CID 153459100
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
2-methyl-4-(4-methylpiperazin-1-yl)quinolin-8-ol;hydrochloride
CID 19603387
4-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
CID 71587769
4-tert-butyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 44613516
8-(4-methylpiperazin-1-yl)naphthalen-2-amine
CID 23353484
2-tert-butyl-4,8-dimethylquinoline
CID 59432974
3-(2-chlorophenyl)-8-(4-methylpiperazin-1-yl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one
CID 139668286
4-tert-butyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 155901264
4-tert-butyl-7-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indole
CID 164933869
tert-butyl 2-[6-(4-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxylate
CID 58455944
4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
CID 135566451

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline?
The IUPAC name of 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline (CID 153459065) is 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline.
What is the SMILES notation for 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline?
The canonical SMILES for 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline is CN1CCN(c2cccc3c(C(C)(C)C)cc(C(C)(C)C)nc23)CC1.
What is the InChIKey of 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline?
The InChIKey is OTRLWNOJCIOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-21(2,3)17-15-19(22(4,5)6)23-20-16(17)9-8-10-18(20)25-13-11-24(7)12-14-25/h8-10,15H,11-14H2,1-7H3.
What are the key properties of 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline?
2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline has a molecular weight of 339.53 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-8-(4-methylpiperazin-1-yl)quinoline is sourced from PubChem (CID 153459065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).