6-[(2R)-azepan-2-yl]quinoline

C15H18N2 — CID 40638182

IUPAC6-[(2R)-azepan-2-yl]quinoline
SMILESc1cnc2ccc([C@H]3CCCCCN3)cc2c1
InChIInChI=1S/C15H18N2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15/h4-5,7-8,10-11,14,16H,1-3,6,9H2/t14-/m1/s1
InChIKeyVUWMEMWWPBIMMA-CQSZACIVSA-N
MW226.32 g/mol
LogP3.44
Rot. Bonds1

About 6-[(2R)-azepan-2-yl]quinoline

6-[(2R)-azepan-2-yl]quinoline (PubChem CID 40638182) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-[(2R)-azepan-2-yl]quinoline.

Molecular Properties

Compound Name6-[(2R)-azepan-2-yl]quinoline
PubChem CID40638182
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name6-[(2R)-azepan-2-yl]quinoline
SMILESc1cnc2ccc([C@H]3CCCCCN3)cc2c1
InChIInChI=1S/C15H18N2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15/h4-5,7-8,10-11,14,16H,1-3,6,9H2/t14-/m1/s1
InChIKeyVUWMEMWWPBIMMA-CQSZACIVSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-piperidin-2-ylquinoline
CID 81224004
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
6-piperidin-2-ylquinoxaline
CID 171487792
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
(2S)-2-phenylpiperidine
CID 10997356
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157
3-methyl-7-piperidin-2-ylisoquinoline
CID 117325813
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-azepan-2-yl]quinoline?
The IUPAC name of 6-[(2R)-azepan-2-yl]quinoline (CID 40638182) is 6-[(2R)-azepan-2-yl]quinoline.
What is the SMILES notation for 6-[(2R)-azepan-2-yl]quinoline?
The canonical SMILES for 6-[(2R)-azepan-2-yl]quinoline is c1cnc2ccc([C@H]3CCCCCN3)cc2c1.
What is the InChIKey of 6-[(2R)-azepan-2-yl]quinoline?
The InChIKey is VUWMEMWWPBIMMA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-6-14(16-9-3-1)13-7-8-15-12(11-13)5-4-10-17-15/h4-5,7-8,10-11,14,16H,1-3,6,9H2/t14-/m1/s1.
What are the key properties of 6-[(2R)-azepan-2-yl]quinoline?
6-[(2R)-azepan-2-yl]quinoline has a molecular weight of 226.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-azepan-2-yl]quinoline is sourced from PubChem (CID 40638182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).