2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine

C23H28N2O — CID 171819501

IUPAC2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine
SMILESCCC1=CC(C)(CC)N=C2C(OC)=C/C(=N\C(C)c3ccccc3)C=C12
InChIInChI=1S/C23H28N2O/c1-6-17-15-23(4,7-2)25-22-20(17)13-19(14-21(22)26-5)24-16(3)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3/b24-19-
InChIKeyQQDLYCQYSJBKDA-CLCOLTQESA-N
MW348.49 g/mol
LogP5.62
Rot. Bonds5

About 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine

2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine (PubChem CID 171819501) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine.

Molecular Properties

Compound Name2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine
PubChem CID171819501
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine
SMILESCCC1=CC(C)(CC)N=C2C(OC)=C/C(=N\C(C)c3ccccc3)C=C12
InChIInChI=1S/C23H28N2O/c1-6-17-15-23(4,7-2)25-22-20(17)13-19(14-21(22)26-5)24-16(3)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3/b24-19-
InChIKeyQQDLYCQYSJBKDA-CLCOLTQESA-N
XLogP5.62
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.62
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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Related Compounds

4-Tert-butyl-6-(2-fluorophenyl)-8-methoxy-2-(5-methylidenecyclohepta-1,3,6-trien-1-yl)-2,3-dihydroquinoline
CID 123907756
5-phenyl-4a,6a,10a,10b-tetrahydro-4H-pyrano[3,2-c]quinoline
CID 91077288
2-methoxy-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 135039730
(3RS,6SR)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
CID 139055196
(3RS,6RS)-2,5-dimethoxy-3,6-diphenyl-3,6-dihydropyrazine
CID 139055197
N-[(1S)-1-phenylethyl]furan-3-imine
CID 22870124
N-benzyl-4-diazo-2,5-diethoxycyclohex-2-en-1-imine
CID 57123772
N-benzyl-2,6-dimethyl-2,3-dihydropyran-4-imine
CID 91047556
5-hydroxy-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium
CID 135973991
5-hydroxy-2-methyl-6-phenyl-3,4,6,9-tetrahydro-2H-pyrano[3,2-c][1,5]naphthyridin-5-ium
CID 136140209
(E)-N-benzyl-4-methoxypent-3-en-2-imine
CID 143925175
2-benzyl-2H-3,1-benzoxazine
CID 151759656

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine?
The IUPAC name of 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine (CID 171819501) is 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine.
What is the SMILES notation for 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine?
The canonical SMILES for 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine is CCC1=CC(C)(CC)N=C2C(OC)=C/C(=N\C(C)c3ccccc3)C=C12.
What is the InChIKey of 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine?
The InChIKey is QQDLYCQYSJBKDA-CLCOLTQESA-N. The full InChI is InChI=1S/C23H28N2O/c1-6-17-15-23(4,7-2)25-22-20(17)13-19(14-21(22)26-5)24-16(3)18-11-9-8-10-12-18/h8-16H,6-7H2,1-5H3/b24-19-.
What are the key properties of 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine?
2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine has a molecular weight of 348.49 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-8-methoxy-2-methyl-N-(1-phenylethyl)quinolin-6-imine is sourced from PubChem (CID 171819501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).