8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine

C21H24N2O — CID 171819655

IUPAC8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine
SMILESCOC1=C/C(=N\[C@H](C)c2ccccc2)C=C2C(C)=CC(C)(C)N=C12
InChIInChI=1S/C21H24N2O/c1-14-13-21(3,4)23-20-18(14)11-17(12-19(20)24-5)22-15(2)16-9-7-6-8-10-16/h6-13,15H,1-5H3/b22-17-/t15-/m1/s1
InChIKeyLDUHCFCSSXZPEK-XQEBGNCTSA-N
MW320.44 g/mol
LogP4.84
Rot. Bonds3

About 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine

8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine (PubChem CID 171819655) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine.

Molecular Properties

Compound Name8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine
PubChem CID171819655
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine
SMILESCOC1=C/C(=N\[C@H](C)c2ccccc2)C=C2C(C)=CC(C)(C)N=C12
InChIInChI=1S/C21H24N2O/c1-14-13-21(3,4)23-20-18(14)11-17(12-19(20)24-5)22-15(2)16-9-7-6-8-10-16/h6-13,15H,1-5H3/b22-17-/t15-/m1/s1
InChIKeyLDUHCFCSSXZPEK-XQEBGNCTSA-N
XLogP4.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine?
The IUPAC name of 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine (CID 171819655) is 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine.
What is the SMILES notation for 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine?
The canonical SMILES for 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine is COC1=C/C(=N\[C@H](C)c2ccccc2)C=C2C(C)=CC(C)(C)N=C12.
What is the InChIKey of 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine?
The InChIKey is LDUHCFCSSXZPEK-XQEBGNCTSA-N. The full InChI is InChI=1S/C21H24N2O/c1-14-13-21(3,4)23-20-18(14)11-17(12-19(20)24-5)22-15(2)16-9-7-6-8-10-16/h6-13,15H,1-5H3/b22-17-/t15-/m1/s1.
What are the key properties of 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine?
8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine has a molecular weight of 320.44 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2,4-trimethyl-N-[(1R)-1-phenylethyl]quinolin-6-imine is sourced from PubChem (CID 171819655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).