1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine

C23H27N3O3 — CID 50867566

IUPAC1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O3/c1-7-25-21-12-22(29-6)17(11-19(21)16(3)13-23(25,4)5)14-24-20-9-8-18(26(27)28)10-15(20)2/h8-14H,7H2,1-6H3/b24-14+
InChIKeyNQDIKRKXLNYYPK-ZVHZXABRSA-N
MW393.49 g/mol
LogP5.68
Rot. Bonds5

About 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine (PubChem CID 50867566) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
PubChem CID50867566
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCN1c2cc(OC)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O3/c1-7-25-21-12-22(29-6)17(11-19(21)16(3)13-23(25,4)5)14-24-20-9-8-18(26(27)28)10-15(20)2/h8-14H,7H2,1-6H3/b24-14+
InChIKeyNQDIKRKXLNYYPK-ZVHZXABRSA-N
XLogP5.68
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50866276
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50865470
N-(4-bromo-2-methylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50870031
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
CID 50868304
N-[(Z)-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-2,4-dinitroaniline
CID 50869773
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50867817
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50867269
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The IUPAC name of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine (CID 50867566) is 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine is CCN1c2cc(OC)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The InChIKey is NQDIKRKXLNYYPK-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-7-25-21-12-22(29-6)17(11-19(21)16(3)13-23(25,4)5)14-24-20-9-8-18(26(27)28)10-15(20)2/h8-14H,7H2,1-6H3/b24-14+.
What are the key properties of 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine has a molecular weight of 393.49 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine is sourced from PubChem (CID 50867566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).