8-(azetidin-3-yl)-2-methylquinoline

C13H14N2 — CID 154791422

IUPAC8-(azetidin-3-yl)-2-methylquinoline
SMILESCc1ccc2cccc(C3CNC3)c2n1
InChIInChI=1S/C13H14N2/c1-9-5-6-10-3-2-4-12(13(10)15-9)11-7-14-8-11/h2-6,11,14H,7-8H2,1H3
InChIKeyQNOIJTVVUBQYBB-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.23
Rot. Bonds1

About 8-(azetidin-3-yl)-2-methylquinoline

8-(azetidin-3-yl)-2-methylquinoline (PubChem CID 154791422) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 8-(azetidin-3-yl)-2-methylquinoline.

Molecular Properties

Compound Name8-(azetidin-3-yl)-2-methylquinoline
PubChem CID154791422
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name8-(azetidin-3-yl)-2-methylquinoline
SMILESCc1ccc2cccc(C3CNC3)c2n1
InChIInChI=1S/C13H14N2/c1-9-5-6-10-3-2-4-12(13(10)15-9)11-7-14-8-11/h2-6,11,14H,7-8H2,1H3
InChIKeyQNOIJTVVUBQYBB-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(azetidin-3-yloxy)-2-methylquinoline;dihydrochloride
CID 86263246
CID 6371660
CID 6371660
CID 66916636
CID 66916636
CID 172780914
CID 172780914
CID 173009222
CID 173009222
iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
chloro-bis(2-methylquinolin-8-yl)gallane
CID 174903892
2-methyl-N-piperidin-3-ylquinolin-8-amine
CID 62953939
8-pyrrolidin-3-ylquinoline;hydrochloride
CID 169498293
3-(2-bromo-3-methylphenyl)azetidine;hydrochloride
CID 172655154
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282

Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-3-yl)-2-methylquinoline?
The IUPAC name of 8-(azetidin-3-yl)-2-methylquinoline (CID 154791422) is 8-(azetidin-3-yl)-2-methylquinoline.
What is the SMILES notation for 8-(azetidin-3-yl)-2-methylquinoline?
The canonical SMILES for 8-(azetidin-3-yl)-2-methylquinoline is Cc1ccc2cccc(C3CNC3)c2n1.
What is the InChIKey of 8-(azetidin-3-yl)-2-methylquinoline?
The InChIKey is QNOIJTVVUBQYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-5-6-10-3-2-4-12(13(10)15-9)11-7-14-8-11/h2-6,11,14H,7-8H2,1H3.
What are the key properties of 8-(azetidin-3-yl)-2-methylquinoline?
8-(azetidin-3-yl)-2-methylquinoline has a molecular weight of 198.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-3-yl)-2-methylquinoline is sourced from PubChem (CID 154791422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).