4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

C13H18N2O — CID 105472992

IUPAC4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)C(N1CCC1)CCN2
InChIInChI=1S/C13H18N2O/c1-16-10-3-4-12-11(9-10)13(5-6-14-12)15-7-2-8-15/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyZIZQHVMVBSDPEO-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.26
Rot. Bonds2

About 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 105472992) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID105472992
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc2c(c1)C(N1CCC1)CCN2
InChIInChI=1S/C13H18N2O/c1-16-10-3-4-12-11(9-10)13(5-6-14-12)15-7-2-8-15/h3-4,9,13-14H,2,5-8H2,1H3
InChIKeyZIZQHVMVBSDPEO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
6-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275555
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
4-(azetidin-1-yl)-5-methoxy-1,2,3,4-tetrahydroquinoline
CID 105473000
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
9-methoxy-3-methyl-2,4,4a,5,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridine
CID 84627031
4,7-dimethoxy-1,2,3,4-tetrahydroquinoline
CID 82275550
1-(2,7-dimethoxy-9H-fluoren-9-yl)pyrrolidine
CID 71339308
(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)methanol
CID 177388086
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline (CID 105472992) is 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline is COc1ccc2c(c1)C(N1CCC1)CCN2.
What is the InChIKey of 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZIZQHVMVBSDPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-10-3-4-12-11(9-10)13(5-6-14-12)15-7-2-8-15/h3-4,9,13-14H,2,5-8H2,1H3.
What are the key properties of 4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline?
4-(azetidin-1-yl)-6-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)-6-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105472992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).