(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine

C18H22ClN3O — CID 9012708

IUPAC(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1ccc2nc(Cl)c(/C=N\N3[C@@H](C)CCC[C@@H]3C)cc2c1
InChIInChI=1S/C18H22ClN3O/c1-12-5-4-6-13(2)22(12)20-11-15-9-14-10-16(23-3)7-8-17(14)21-18(15)19/h7-13H,4-6H2,1-3H3/b20-11-/t12-,13-/m0/s1
InChIKeyUUOIMCGVODWJNT-VCOXBAQVSA-N
MW331.85 g/mol
LogP4.49
Rot. Bonds3

About (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine

(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 9012708) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID9012708
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCOc1ccc2nc(Cl)c(/C=N\N3[C@@H](C)CCC[C@@H]3C)cc2c1
InChIInChI=1S/C18H22ClN3O/c1-12-5-4-6-13(2)22(12)20-11-15-9-14-10-16(23-3)7-8-17(14)21-18(15)19/h7-13H,4-6H2,1-3H3/b20-11-/t12-,13-/m0/s1
InChIKeyUUOIMCGVODWJNT-VCOXBAQVSA-N
XLogP4.49
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine with MolForge

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Related Compounds

1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
2-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]isoindole-1,3-dione
CID 9072493
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2,4,6-trimethoxyphenyl)methanimine
CID 9012658
3-(2-chloro-6-methoxyquinolin-3-yl)prop-2-ene-1-thiol
CID 169456488
1-(5-bromo-2-methoxyphenyl)-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 23854347
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
3-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazolidin-4-one
CID 5161149
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570
2-chloro-3-(fluoromethyl)-6-methoxyquinoline
CID 163369933
N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 170903101
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
CID 6597521

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine (CID 9012708) is (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine is COc1ccc2nc(Cl)c(/C=N\N3[C@@H](C)CCC[C@@H]3C)cc2c1.
What is the InChIKey of (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is UUOIMCGVODWJNT-VCOXBAQVSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12-5-4-6-13(2)22(12)20-11-15-9-14-10-16(23-3)7-8-17(14)21-18(15)19/h7-13H,4-6H2,1-3H3/b20-11-/t12-,13-/m0/s1.
What are the key properties of (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 331.85 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 9012708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).