6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline

C23H34N4 — CID 170864278

IUPAC6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
SMILESCc1cc(C)c2nc(N3CCCC3)c(CCCN3CCN(C)CC3)cc2c1
InChIInChI=1S/C23H34N4/c1-18-15-19(2)22-21(16-18)17-20(23(24-22)27-9-4-5-10-27)7-6-8-26-13-11-25(3)12-14-26/h15-17H,4-14H2,1-3H3
InChIKeyQVEPPJQIWYZRCG-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.63
Rot. Bonds5

About 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline

6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline (PubChem CID 170864278) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline.

Molecular Properties

Compound Name6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
PubChem CID170864278
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
SMILESCc1cc(C)c2nc(N3CCCC3)c(CCCN3CCN(C)CC3)cc2c1
InChIInChI=1S/C23H34N4/c1-18-15-19(2)22-21(16-18)17-20(23(24-22)27-9-4-5-10-27)7-6-8-26-13-11-25(3)12-14-26/h15-17H,4-14H2,1-3H3
InChIKeyQVEPPJQIWYZRCG-UHFFFAOYSA-N
XLogP3.63
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
CID 170863747
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
6,8-dimethyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline
CID 4124471
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 170864276
1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
CID 170862597
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4,6-dimethyl-1H-benzimidazole
CID 11258459
1-[3-(3-chloro-2-ethoxy-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863796
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline?
The IUPAC name of 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline (CID 170864278) is 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline.
What is the SMILES notation for 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline?
The canonical SMILES for 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline is Cc1cc(C)c2nc(N3CCCC3)c(CCCN3CCN(C)CC3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline?
The InChIKey is QVEPPJQIWYZRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-18-15-19(2)22-21(16-18)17-20(23(24-22)27-9-4-5-10-27)7-6-8-26-13-11-25(3)12-14-26/h15-17H,4-14H2,1-3H3.
What are the key properties of 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline?
6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline has a molecular weight of 366.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline is sourced from PubChem (CID 170864278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).