N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

C23H27N3O2 — CID 50868677

IUPACN-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-6-11-25-22-12-16(2)18(13-21(22)17(3)14-23(25,4)5)15-24-19-7-9-20(10-8-19)26(27)28/h7-10,12-15H,6,11H2,1-5H3/b24-15+
InChIKeyWFTTUUGMKKHRRA-BUVRLJJBSA-N
MW377.49 g/mol
LogP6.07
Rot. Bonds5

About N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine

N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50868677) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50868677
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C23H27N3O2/c1-6-11-25-22-12-16(2)18(13-21(22)17(3)14-23(25,4)5)15-24-19-7-9-20(10-8-19)26(27)28/h7-10,12-15H,6,11H2,1-5H3/b24-15+
InChIKeyWFTTUUGMKKHRRA-BUVRLJJBSA-N
XLogP6.07
TPSA58.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.07
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

N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 50866276
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868952
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
N-(2-methoxyphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868462
N-(2-fluorophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869014
N-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]hydroxylamine
CID 50868475
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
2,2,4,7-tetramethyl-1-propylquinoline-6-carbaldehyde
CID 50868619
3-methyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]benzoic acid
CID 50868976
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50862541

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine (CID 50868677) is N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2cc(C)c(/C=N/c3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is WFTTUUGMKKHRRA-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-6-11-25-22-12-16(2)18(13-21(22)17(3)14-23(25,4)5)15-24-19-7-9-20(10-8-19)26(27)28/h7-10,12-15H,6,11H2,1-5H3/b24-15+.
What are the key properties of N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine?
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 377.49 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).