N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline

C29H33N3 — CID 50868952

IUPACN-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C29H33N3/c1-6-16-32-28-17-21(2)23(18-27(28)22(3)19-29(32,4)5)20-30-24-12-14-26(15-13-24)31-25-10-8-7-9-11-25/h7-15,17-20,31H,6,16H2,1-5H3/b30-20+
InChIKeyIUIPJCBYQSIURN-TWKHWXDSSA-N
MW423.60 g/mol
LogP7.90
Rot. Bonds6

About N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline

N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline (PubChem CID 50868952) has the molecular formula C29H33N3 and a molecular weight of 423.60 g/mol. Its IUPAC name is N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
PubChem CID50868952
Molecular FormulaC29H33N3
Molecular Weight423.60 g/mol
Exact Mass423.27
IUPAC NameN-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline
SMILESCCCN1c2cc(C)c(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C
InChIInChI=1S/C29H33N3/c1-6-16-32-28-17-21(2)23(18-27(28)22(3)19-29(32,4)5)20-30-24-12-14-26(15-13-24)31-25-10-8-7-9-11-25/h7-15,17-20,31H,6,16H2,1-5H3/b30-20+
InChIKeyIUIPJCBYQSIURN-TWKHWXDSSA-N
XLogP7.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-2-yl-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50869022
N-[4-(4-methylphenoxy)phenyl]-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868575
N-(4-nitrophenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868677
N-(4-fluoro-3-methylphenyl)-1-(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methanimine
CID 50868999
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
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
4-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-N-phenylaniline
CID 50866323
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
N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]aniline
CID 50868938
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-[4-(2-methylphenoxy)phenyl]methanimine
CID 50869837

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline (CID 50868952) is N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline is CCCN1c2cc(C)c(/C=N/c3ccc(Nc4ccccc4)cc3)cc2C(C)=CC1(C)C.
What is the InChIKey of N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
The InChIKey is IUIPJCBYQSIURN-TWKHWXDSSA-N. The full InChI is InChI=1S/C29H33N3/c1-6-16-32-28-17-21(2)23(18-27(28)22(3)19-29(32,4)5)20-30-24-12-14-26(15-13-24)31-25-10-8-7-9-11-25/h7-15,17-20,31H,6,16H2,1-5H3/b30-20+.
What are the key properties of N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline?
N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline has a molecular weight of 423.60 g/mol, XLogP of 7.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50868952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).