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

C23H27N3O2 — CID 50866276

IUPAC1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-7-25-22-11-15(2)18(12-20(22)17(4)13-23(25,5)6)14-24-21-9-8-19(26(27)28)10-16(21)3/h8-14H,7H2,1-6H3/b24-14+
InChIKeyQHOJDNDBPQNDGD-ZVHZXABRSA-N
MW377.49 g/mol
LogP5.98
Rot. Bonds4

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

1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine (PubChem CID 50866276) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
PubChem CID50866276
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-7-25-22-11-15(2)18(12-20(22)17(4)13-23(25,5)6)14-24-21-9-8-19(26(27)28)10-16(21)3/h8-14H,7H2,1-6H3/b24-14+
InChIKeyQHOJDNDBPQNDGD-ZVHZXABRSA-N
XLogP5.98
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50867566
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
1-(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50865470
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50867269
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
methyl 3-[(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methylideneamino]-4-methylbenzoate
CID 50866924
4-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoic acid
CID 50867263
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
methyl 3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoate
CID 50868984

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The IUPAC name of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine (CID 50866276) is 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The canonical SMILES for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine is CCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3C)cc2C(C)=CC1(C)C.
What is the InChIKey of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
The InChIKey is QHOJDNDBPQNDGD-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-7-25-22-11-15(2)18(12-20(22)17(4)13-23(25,5)6)14-24-21-9-8-19(26(27)28)10-16(21)3/h8-14H,7H2,1-6H3/b24-14+.
What are the key properties of 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine?
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine has a molecular weight of 377.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine is sourced from PubChem (CID 50866276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).