N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline

C26H35N3O — CID 50868304

IUPACN,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
SMILESCCN(CC)c1ccc(/N=C/c2cc3c(cc2OC)N(CC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C26H35N3O/c1-8-28(9-2)22-13-11-21(12-14-22)27-18-20-15-23-19(4)17-26(5,6)29(10-3)24(23)16-25(20)30-7/h11-18H,8-10H2,1-7H3/b27-18+
InChIKeyFFDXMAXZWVTREC-OVVQPSECSA-N
MW405.59 g/mol
LogP6.31
Rot. Bonds7

About N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline

N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline (PubChem CID 50868304) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
PubChem CID50868304
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline
SMILESCCN(CC)c1ccc(/N=C/c2cc3c(cc2OC)N(CC)C(C)(C)C=C3C)cc1
InChIInChI=1S/C26H35N3O/c1-8-28(9-2)22-13-11-21(12-14-22)27-18-20-15-23-19(4)17-26(5,6)29(10-3)24(23)16-25(20)30-7/h11-18H,8-10H2,1-7H3/b27-18+
InChIKeyFFDXMAXZWVTREC-OVVQPSECSA-N
XLogP6.31
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.59
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline with MolForge

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Related Compounds

1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867716
N-[4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50868239
1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)-N-(3-methylphenyl)methanimine
CID 50867977
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
N-(3-bromophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868279
4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]benzonitrile
CID 50869589
1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)-N-phenylmethanimine
CID 50869657
1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)-N-(4-methoxyphenyl)methanimine
CID 50867508
N-(4-butylphenyl)-1-(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
CID 50869674
methyl 3-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]benzoate
CID 50867799
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline?
The IUPAC name of N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline (CID 50868304) is N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline.
What is the SMILES notation for N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline?
The canonical SMILES for N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline is CCN(CC)c1ccc(/N=C/c2cc3c(cc2OC)N(CC)C(C)(C)C=C3C)cc1.
What is the InChIKey of N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline?
The InChIKey is FFDXMAXZWVTREC-OVVQPSECSA-N. The full InChI is InChI=1S/C26H35N3O/c1-8-28(9-2)22-13-11-21(12-14-22)27-18-20-15-23-19(4)17-26(5,6)29(10-3)24(23)16-25(20)30-7/h11-18H,8-10H2,1-7H3/b27-18+.
What are the key properties of N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline?
N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline has a molecular weight of 405.59 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]aniline is sourced from PubChem (CID 50868304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).