1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine

C16H18BrN3 — CID 116785617

IUPAC1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
SMILESBrc1cnc2c(N3CCC(NC4CC4)C3)cccc2c1
InChIInChI=1S/C16H18BrN3/c17-12-8-11-2-1-3-15(16(11)18-9-12)20-7-6-14(10-20)19-13-4-5-13/h1-3,8-9,13-14,19H,4-7,10H2
InChIKeyYMUZYWLACUJLBC-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine

1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine (PubChem CID 116785617) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
PubChem CID116785617
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
SMILESBrc1cnc2c(N3CCC(NC4CC4)C3)cccc2c1
InChIInChI=1S/C16H18BrN3/c17-12-8-11-2-1-3-15(16(11)18-9-12)20-7-6-14(10-20)19-13-4-5-13/h1-3,8-9,13-14,19H,4-7,10H2
InChIKeyYMUZYWLACUJLBC-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine (CID 116785617) is 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine is Brc1cnc2c(N3CCC(NC4CC4)C3)cccc2c1.
What is the InChIKey of 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine?
The InChIKey is YMUZYWLACUJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-12-8-11-2-1-3-15(16(11)18-9-12)20-7-6-14(10-20)19-13-4-5-13/h1-3,8-9,13-14,19H,4-7,10H2.
What are the key properties of 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine?
1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine has a molecular weight of 332.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 116785617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).