6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline

C15H21BrN2 — CID 59807044

IUPAC6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
SMILESBrc1ccc2c(c1)CCCN2CCN1CCCC1
InChIInChI=1S/C15H21BrN2/c16-14-5-6-15-13(12-14)4-3-9-18(15)11-10-17-7-1-2-8-17/h5-6,12H,1-4,7-11H2
InChIKeyKWONFJZTUPRIGY-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.30
Rot. Bonds3

About 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline

6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline (PubChem CID 59807044) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
PubChem CID59807044
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
SMILESBrc1ccc2c(c1)CCCN2CCN1CCCC1
InChIInChI=1S/C15H21BrN2/c16-14-5-6-15-13(12-14)4-3-9-18(15)11-10-17-7-1-2-8-17/h5-6,12H,1-4,7-11H2
InChIKeyKWONFJZTUPRIGY-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline (CID 59807044) is 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline is Brc1ccc2c(c1)CCCN2CCN1CCCC1.
What is the InChIKey of 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is KWONFJZTUPRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-14-5-6-15-13(12-14)4-3-9-18(15)11-10-17-7-1-2-8-17/h5-6,12H,1-4,7-11H2.
What are the key properties of 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline?
6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 309.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59807044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).