4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline

C22H28FN3 — CID 50859880

IUPAC4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
SMILESCC1CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C22H28FN3/c1-15-13-22(2,3)26(6)21-12-20(23)16(11-19(15)21)14-24-17-7-9-18(10-8-17)25(4)5/h7-12,14-15H,13H2,1-6H3/b24-14+
InChIKeyVZPMQBMNZIOOKT-ZVHZXABRSA-N
MW353.49 g/mol
LogP5.36
Rot. Bonds3

About 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline

4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline (PubChem CID 50859880) has the molecular formula C22H28FN3 and a molecular weight of 353.49 g/mol. Its IUPAC name is 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
PubChem CID50859880
Molecular FormulaC22H28FN3
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
SMILESCC1CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(N(C)C)cc3)cc21
InChIInChI=1S/C22H28FN3/c1-15-13-22(2,3)26(6)21-12-20(23)16(11-19(15)21)14-24-17-7-9-18(10-8-17)25(4)5/h7-12,14-15H,13H2,1-6H3/b24-14+
InChIKeyVZPMQBMNZIOOKT-ZVHZXABRSA-N
XLogP5.36
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline (CID 50859880) is 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline is CC1CC(C)(C)N(C)c2cc(F)c(/C=N/c3ccc(N(C)C)cc3)cc21.
What is the InChIKey of 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is VZPMQBMNZIOOKT-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H28FN3/c1-15-13-22(2,3)26(6)21-12-20(23)16(11-19(15)21)14-24-17-7-9-18(10-8-17)25(4)5/h7-12,14-15H,13H2,1-6H3/b24-14+.
What are the key properties of 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline has a molecular weight of 353.49 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 50859880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).