1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine

C22H28N2 — CID 124631427

IUPAC1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccccc3)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C22H28N2/c1-6-24-21-12-16(2)18(15-23-19-10-8-7-9-11-19)13-20(21)17(3)14-22(24,4)5/h7-13,15,17H,6,14H2,1-5H3/b23-15+/t17-/m1/s1
InChIKeyMFQAQYCQCLEYKS-HAFIMRKLSA-N
MW320.48 g/mol
LogP5.86
Rot. Bonds3

About 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine

1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine (PubChem CID 124631427) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
PubChem CID124631427
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccccc3)cc2[C@H](C)CC1(C)C
InChIInChI=1S/C22H28N2/c1-6-24-21-12-16(2)18(15-23-19-10-8-7-9-11-19)13-20(21)17(3)14-22(24,4)5/h7-13,15,17H,6,14H2,1-5H3/b23-15+/t17-/m1/s1
InChIKeyMFQAQYCQCLEYKS-HAFIMRKLSA-N
XLogP5.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(4-methylphenyl)methanimine
CID 99865763
N-(3-bromophenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860862
N-(4-tert-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860708
N-(4-butylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860611
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860626
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50860923
1-[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 99865775
1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)-N-[4-(4-methoxyphenoxy)phenyl]methanimine
CID 50860728
N-[4-[[(4S)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]methylideneamino]phenyl]acetamide
CID 99865780
N-(2-ethoxyphenyl)-1-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50860596
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-(6-methoxy-3-pyridinyl)methanimine
CID 125043341
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
CID 50861116

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine?
The IUPAC name of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine (CID 124631427) is 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine.
What is the SMILES notation for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine?
The canonical SMILES for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine is CCN1c2cc(C)c(/C=N/c3ccccc3)cc2[C@H](C)CC1(C)C.
What is the InChIKey of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine?
The InChIKey is MFQAQYCQCLEYKS-HAFIMRKLSA-N. The full InChI is InChI=1S/C22H28N2/c1-6-24-21-12-16(2)18(15-23-19-10-8-7-9-11-19)13-20(21)17(3)14-22(24,4)5/h7-13,15,17H,6,14H2,1-5H3/b23-15+/t17-/m1/s1.
What are the key properties of 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine?
1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine has a molecular weight of 320.48 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl]-N-phenylmethanimine is sourced from PubChem (CID 124631427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).