8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline

C14H17BrN2 — CID 154261394

IUPAC8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline
SMILESBrc1cccc2c1N(CN1CCCC1)CC=C2
InChIInChI=1S/C14H17BrN2/c15-13-7-3-5-12-6-4-10-17(14(12)13)11-16-8-1-2-9-16/h3-7H,1-2,8-11H2
InChIKeyXCPIKRZEXQADQR-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.34
Rot. Bonds2

About 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline

8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline (PubChem CID 154261394) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline.

Molecular Properties

Compound Name8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline
PubChem CID154261394
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline
SMILESBrc1cccc2c1N(CN1CCCC1)CC=C2
InChIInChI=1S/C14H17BrN2/c15-13-7-3-5-12-6-4-10-17(14(12)13)11-16-8-1-2-9-16/h3-7H,1-2,8-11H2
InChIKeyXCPIKRZEXQADQR-UHFFFAOYSA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline?
The IUPAC name of 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline (CID 154261394) is 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline.
What is the SMILES notation for 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline?
The canonical SMILES for 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline is Brc1cccc2c1N(CN1CCCC1)CC=C2.
What is the InChIKey of 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline?
The InChIKey is XCPIKRZEXQADQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-13-7-3-5-12-6-4-10-17(14(12)13)11-16-8-1-2-9-16/h3-7H,1-2,8-11H2.
What are the key properties of 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline?
8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline has a molecular weight of 293.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline is sourced from PubChem (CID 154261394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).