2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline

C15H17BrN2 — CID 80675692

IUPAC2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
SMILESBrCC1CCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H17BrN2/c16-10-14-5-3-9-18(14)11-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14H,3,5,9-11H2
InChIKeyPCURYGKJPVRHJT-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.59
Rot. Bonds3

About 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline

2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline (PubChem CID 80675692) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
PubChem CID80675692
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline
SMILESBrCC1CCCN1Cc1ccc2ccccc2n1
InChIInChI=1S/C15H17BrN2/c16-10-14-5-3-9-18(14)11-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14H,3,5,9-11H2
InChIKeyPCURYGKJPVRHJT-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-bromoethyl)pyrrolidin-1-yl]methyl]quinoline
CID 112747828
[(2S)-1-(quinolin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 78995603
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
(3R)-3-propyl-4-(quinolin-2-ylmethyl)morpholine
CID 95129378
1-[(2S)-1-(azetidin-3-ylmethyl)pyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 69313741
2-[2-(2-bromoethyl)pyrrolidin-1-yl]quinoline
CID 112748091
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 80668518
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-[[2-(bromomethyl)azepan-1-yl]methyl]quinoline
CID 116638308
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
(3R)-1-(quinolin-2-ylmethyl)pyrrolidin-3-amine
CID 68962287

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline (CID 80675692) is 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline is BrCC1CCCN1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is PCURYGKJPVRHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-10-14-5-3-9-18(14)11-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14H,3,5,9-11H2.
What are the key properties of 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline?
2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 305.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 80675692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).