3-[(2S)-aziridin-2-yl]quinoline

C11H10N2 — CID 55263274

IUPAC3-[(2S)-aziridin-2-yl]quinoline
SMILESc1ccc2ncc([C@H]3CN3)cc2c1
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-13-11/h1-6,11,13H,7H2/t11-/m1/s1
InChIKeyYDNZFCPOFLKEQA-LLVKDONJSA-N
MW170.22 g/mol
LogP1.88
Rot. Bonds1

About 3-[(2S)-aziridin-2-yl]quinoline

3-[(2S)-aziridin-2-yl]quinoline (PubChem CID 55263274) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]quinoline.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]quinoline
PubChem CID55263274
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name3-[(2S)-aziridin-2-yl]quinoline
SMILESc1ccc2ncc([C@H]3CN3)cc2c1
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-13-11/h1-6,11,13H,7H2/t11-/m1/s1
InChIKeyYDNZFCPOFLKEQA-LLVKDONJSA-N
XLogP1.88
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
3-(2,3-dihydro-1H-indol-2-yl)quinoline
CID 65041840
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
CID 140531216
3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
CID 166437321
3-(4-ethylcyclohexyl)quinoline
CID 145078390
5-(aziridin-2-yl)-2-methylpyridine
CID 129016898
CID 174439431
CID 174439431
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
CID 124500180
2-[(2R)-aziridin-2-yl]quinoline
CID 55263271
3-[(2R,3aS,6aS)-6a-(methylperoxymethyl)-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[b]pyrrol-2-yl]quinoline
CID 59894364

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-aziridin-2-yl]quinoline?
The IUPAC name of 3-[(2S)-aziridin-2-yl]quinoline (CID 55263274) is 3-[(2S)-aziridin-2-yl]quinoline.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]quinoline?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]quinoline is c1ccc2ncc([C@H]3CN3)cc2c1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]quinoline?
The InChIKey is YDNZFCPOFLKEQA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-9(6-12-10)11-7-13-11/h1-6,11,13H,7H2/t11-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]quinoline?
3-[(2S)-aziridin-2-yl]quinoline has a molecular weight of 170.22 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-aziridin-2-yl]quinoline is sourced from PubChem (CID 55263274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).