4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline

C13H18N2O — CID 105473000

IUPAC4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc2c1C(N1CCC1)CCN2
InChIInChI=1S/C13H18N2O/c1-16-12-5-2-4-10-13(12)11(6-7-14-10)15-8-3-9-15/h2,4-5,11,14H,3,6-9H2,1H3
InChIKeyANIZCFSTUGJFCH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.26
Rot. Bonds2

About 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline

4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 105473000) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID105473000
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1cccc2c1C(N1CCC1)CCN2
InChIInChI=1S/C13H18N2O/c1-16-12-5-2-4-10-13(12)11(6-7-14-10)15-8-3-9-15/h2,4-5,11,14H,3,6-9H2,1H3
InChIKeyANIZCFSTUGJFCH-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137804
4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 105472992
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
4-amino-5-methoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 130137807
(2R)-2-(2,6-dimethoxyphenyl)-1-propylpyrrolidine
CID 124500725
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 141010316
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
9-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84620310
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
4-(azetidin-1-yl)-1,2,3,4-tetrahydroquinolin-8-ol
CID 105456575
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline (CID 105473000) is 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline is COc1cccc2c1C(N1CCC1)CCN2.
What is the InChIKey of 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is ANIZCFSTUGJFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-12-5-2-4-10-13(12)11(6-7-14-10)15-8-3-9-15/h2,4-5,11,14H,3,6-9H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline?
4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 218.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105473000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).