4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline

C23H31N3 — CID 50860641

IUPAC4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
SMILESCCN1c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H31N3/c1-7-26-22-13-8-18(14-21(22)17(2)15-23(26,3)4)16-24-19-9-11-20(12-10-19)25(5)6/h8-14,16-17H,7,15H2,1-6H3/b24-16+
InChIKeyRSHWDLUDWNSPAB-LFVJCYFKSA-N
MW349.52 g/mol
LogP5.62
Rot. Bonds4

About 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline

4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline (PubChem CID 50860641) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
PubChem CID50860641
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline
SMILESCCN1c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C23H31N3/c1-7-26-22-13-8-18(14-21(22)17(2)15-23(26,3)4)16-24-19-9-11-20(12-10-19)25(5)6/h8-14,16-17H,7,15H2,1-6H3/b24-16+
InChIKeyRSHWDLUDWNSPAB-LFVJCYFKSA-N
XLogP5.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.62
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-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The IUPAC name of 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline (CID 50860641) is 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The canonical SMILES for 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline is CCN1c2ccc(/C=N/c3ccc(N(C)C)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
The InChIKey is RSHWDLUDWNSPAB-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H31N3/c1-7-26-22-13-8-18(14-21(22)17(2)15-23(26,3)4)16-24-19-9-11-20(12-10-19)25(5)6/h8-14,16-17H,7,15H2,1-6H3/b24-16+.
What are the key properties of 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline?
4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline has a molecular weight of 349.52 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-N,N-dimethylaniline is sourced from PubChem (CID 50860641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).