5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol

C21H22Cl2N2O — CID 50867273

IUPAC5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(Cl)cc3O)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H22Cl2N2O/c1-5-25-19-10-17(23)14(8-16(19)13(2)11-21(25,3)4)12-24-18-7-6-15(22)9-20(18)26/h6-12,26H,5H2,1-4H3/b24-12+
InChIKeyCSYRFWBAHDGPBG-WYMPLXKRSA-N
MW389.33 g/mol
LogP6.47
Rot. Bonds3

About 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol

5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol (PubChem CID 50867273) has the molecular formula C21H22Cl2N2O and a molecular weight of 389.33 g/mol. Its IUPAC name is 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol.

Molecular Properties

Compound Name5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol
PubChem CID50867273
Molecular FormulaC21H22Cl2N2O
Molecular Weight389.33 g/mol
Exact Mass388.11
IUPAC Name5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(Cl)cc3O)cc2C(C)=CC1(C)C
InChIInChI=1S/C21H22Cl2N2O/c1-5-25-19-10-17(23)14(8-16(19)13(2)11-21(25,3)4)12-24-18-7-6-15(22)9-20(18)26/h6-12,26H,5H2,1-4H3/b24-12+
InChIKeyCSYRFWBAHDGPBG-WYMPLXKRSA-N
XLogP6.47
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867579
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
4-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-3-methylbenzoic acid
CID 50867263
N-(4-chlorophenyl)-1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)methanimine
CID 50866985
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(3-nitrophenyl)methanimine
CID 50867269
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50866646
N-(5-chloro-2-methylphenyl)-1-(1-ethyl-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50866316
N-(3-chloro-4-methylphenyl)-1-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50867183
N-(3-chloro-4-fluorophenyl)-1-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methanimine
CID 50868209
1-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-N-(2,3-dichlorophenyl)methanimine
CID 50865494
N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]-4-nitrobenzamide
CID 50866862
1-(1-ethyl-2,2,4,7-tetramethylquinolin-6-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 50866938

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol?
The IUPAC name of 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol (CID 50867273) is 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol.
What is the SMILES notation for 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol?
The canonical SMILES for 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol is CCN1c2cc(Cl)c(/C=N/c3ccc(Cl)cc3O)cc2C(C)=CC1(C)C.
What is the InChIKey of 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol?
The InChIKey is CSYRFWBAHDGPBG-WYMPLXKRSA-N. The full InChI is InChI=1S/C21H22Cl2N2O/c1-5-25-19-10-17(23)14(8-16(19)13(2)11-21(25,3)4)12-24-18-7-6-15(22)9-20(18)26/h6-12,26H,5H2,1-4H3/b24-12+.
What are the key properties of 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol?
5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol has a molecular weight of 389.33 g/mol, XLogP of 6.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylideneamino]phenol is sourced from PubChem (CID 50867273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).