(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline

C15H15BrN2 — CID 162417293

IUPAC(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline
SMILESCN1c2ccc(Br)cc2CC[C@H]1c1ccccn1
InChIInChI=1S/C15H15BrN2/c1-18-14-8-6-12(16)10-11(14)5-7-15(18)13-4-2-3-9-17-13/h2-4,6,8-10,15H,5,7H2,1H3/t15-/m0/s1
InChIKeyFUEFMONPWJGIHM-HNNXBMFYSA-N
MW303.20 g/mol
LogP3.97
Rot. Bonds1

About (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline

(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 162417293) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline
PubChem CID162417293
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline
SMILESCN1c2ccc(Br)cc2CC[C@H]1c1ccccn1
InChIInChI=1S/C15H15BrN2/c1-18-14-8-6-12(16)10-11(14)5-7-15(18)13-4-2-3-9-17-13/h2-4,6,8-10,15H,5,7H2,1H3/t15-/m0/s1
InChIKeyFUEFMONPWJGIHM-HNNXBMFYSA-N
XLogP3.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline (CID 162417293) is (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline is CN1c2ccc(Br)cc2CC[C@H]1c1ccccn1.
What is the InChIKey of (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is FUEFMONPWJGIHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-18-14-8-6-12(16)10-11(14)5-7-15(18)13-4-2-3-9-17-13/h2-4,6,8-10,15H,5,7H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline?
(2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 303.20 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-bromo-1-methyl-2-pyridin-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 162417293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).