(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine

C20H25FN2O — CID 91826181

IUPAC(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@H](F)[C@@H]1O/N=C/c1cccc2cccnc12
InChIInChI=1S/C20H25FN2O/c1-13(2)17-10-9-14(3)18(21)20(17)24-23-12-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11-14,17-18,20H,9-10H2,1-3H3/b23-12+/t14-,17+,18+,20-/m1/s1
InChIKeyYDHQTPLZOFPOHP-IJGOMABFSA-N
MW328.43 g/mol
LogP4.99
Rot. Bonds4

About (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine

(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine (PubChem CID 91826181) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine
PubChem CID91826181
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@H](F)[C@@H]1O/N=C/c1cccc2cccnc12
InChIInChI=1S/C20H25FN2O/c1-13(2)17-10-9-14(3)18(21)20(17)24-23-12-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11-14,17-18,20H,9-10H2,1-3H3/b23-12+/t14-,17+,18+,20-/m1/s1
InChIKeyYDHQTPLZOFPOHP-IJGOMABFSA-N
XLogP4.99
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-methoxy-1-(4-methylphenyl)-2-quinolin-1-ium-1-ylethanimine
CID 44390689
2-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 56779973
N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide
CID 151631014
1-[4-[[(6-Fluoroquinolin-8-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53619024
4-[(E)-2-(1-ethoxyquinolin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline chloride
CID 168274335
4-[(E)-2-(1-ethoxyquinolin-1-ium-4-yl)ethenyl]-N,N-dipropylaniline chloride
CID 168289635
3-(Quinolin-4-yl)propan-1-ol
CID 21218471
5-{[3-(3-Methoxypropyl)-1-piperidinyl]methyl}-6-methylquinoline
CID 70734006
(E)-N-prop-2-ynoxy-1-quinolin-4-ylmethanimine
CID 162406043
trans-4-(6-Fluoro-4-quinolyl)cyclohexyl Methanesulfonate
CID 121329963
1-Oxido-8-[4-(trifluoromethyl)phenyl]quinolin-1-ium
CID 134847018
methyl (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoate
CID 137389642

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine?
The IUPAC name of (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine (CID 91826181) is (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine.
What is the SMILES notation for (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine?
The canonical SMILES for (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine is CC(C)[C@@H]1CC[C@@H](C)[C@H](F)[C@@H]1O/N=C/c1cccc2cccnc12.
What is the InChIKey of (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine?
The InChIKey is YDHQTPLZOFPOHP-IJGOMABFSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-13(2)17-10-9-14(3)18(21)20(17)24-23-12-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11-14,17-18,20H,9-10H2,1-3H3/b23-12+/t14-,17+,18+,20-/m1/s1.
What are the key properties of (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine?
(E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine has a molecular weight of 328.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R,2S,3R,6S)-2-fluoro-3-methyl-6-propan-2-ylcyclohexyl]oxy-1-quinolin-8-ylmethanimine is sourced from PubChem (CID 91826181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).