2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine

C16H18BrN3 — CID 115960457

IUPAC2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
SMILESNC1CCN(C2CC2)C1c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H18BrN3/c17-13-6-5-12(15-11(13)2-1-8-19-15)16-14(18)7-9-20(16)10-3-4-10/h1-2,5-6,8,10,14,16H,3-4,7,9,18H2
InChIKeyRJYSHOOCOLSCDW-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.23
Rot. Bonds2

About 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine

2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine (PubChem CID 115960457) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
PubChem CID115960457
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
SMILESNC1CCN(C2CC2)C1c1ccc(Br)c2cccnc12
InChIInChI=1S/C16H18BrN3/c17-13-6-5-12(15-11(13)2-1-8-19-15)16-14(18)7-9-20(16)10-3-4-10/h1-2,5-6,8,10,14,16H,3-4,7,9,18H2
InChIKeyRJYSHOOCOLSCDW-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
CID 115960452
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 115960680
5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
CID 112618368
5-bromoquinolin-8-ol;nickel
CID 175092761
2-(5-bromoquinolin-8-yl)-6-methyl-1,3-thiazinane
CID 112618396
5-bromo-8-(5-methylpyrrolidin-3-yl)quinoline
CID 112618555
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
2-(5-bromoquinolin-8-yl)-5-methyl-1,3-thiazinane
CID 112618394
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115959894

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine (CID 115960457) is 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine is NC1CCN(C2CC2)C1c1ccc(Br)c2cccnc12.
What is the InChIKey of 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is RJYSHOOCOLSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3/c17-13-6-5-12(15-11(13)2-1-8-19-15)16-14(18)7-9-20(16)10-3-4-10/h1-2,5-6,8,10,14,16H,3-4,7,9,18H2.
What are the key properties of 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine?
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 332.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 115960457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).