8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline

C19H25BrN4 — CID 133292714

IUPAC8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline
SMILESCCN1CCN(C2CCN(c3ccnc4c(Br)cccc34)C2)CC1
InChIInChI=1S/C19H25BrN4/c1-2-22-10-12-23(13-11-22)15-7-9-24(14-15)18-6-8-21-19-16(18)4-3-5-17(19)20/h3-6,8,15H,2,7,9-14H2,1H3
InChIKeyNPJORQQHPUEFTE-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.21
Rot. Bonds3

About 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline

8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline (PubChem CID 133292714) has the molecular formula C19H25BrN4 and a molecular weight of 389.34 g/mol. Its IUPAC name is 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline
PubChem CID133292714
Molecular FormulaC19H25BrN4
Molecular Weight389.34 g/mol
Exact Mass388.13
IUPAC Name8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline
SMILESCCN1CCN(C2CCN(c3ccnc4c(Br)cccc34)C2)CC1
InChIInChI=1S/C19H25BrN4/c1-2-22-10-12-23(13-11-22)15-7-9-24(14-15)18-6-8-21-19-16(18)4-3-5-17(19)20/h3-6,8,15H,2,7,9-14H2,1H3
InChIKeyNPJORQQHPUEFTE-UHFFFAOYSA-N
XLogP3.21
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline?
The IUPAC name of 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline (CID 133292714) is 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline is CCN1CCN(C2CCN(c3ccnc4c(Br)cccc34)C2)CC1.
What is the InChIKey of 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline?
The InChIKey is NPJORQQHPUEFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4/c1-2-22-10-12-23(13-11-22)15-7-9-24(14-15)18-6-8-21-19-16(18)4-3-5-17(19)20/h3-6,8,15H,2,7,9-14H2,1H3.
What are the key properties of 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline?
8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline has a molecular weight of 389.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 133292714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).