1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine

C22H27ClN2O — CID 50859098

IUPAC1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)CC2C
InChIInChI=1S/C22H27ClN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-12,14-15H,6,13H2,1-5H3/b24-14+
InChIKeyZDBRSWURVDPAEI-ZVHZXABRSA-N
MW370.92 g/mol
LogP6.21
Rot. Bonds4

About 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine

1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine (PubChem CID 50859098) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine
PubChem CID50859098
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine
SMILESCCOc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)CC2C
InChIInChI=1S/C22H27ClN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-12,14-15H,6,13H2,1-5H3/b24-14+
InChIKeyZDBRSWURVDPAEI-ZVHZXABRSA-N
XLogP6.21
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine (CID 50859098) is 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine is CCOc1ccccc1/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)CC2C.
What is the InChIKey of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine?
The InChIKey is ZDBRSWURVDPAEI-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-6-26-21-10-8-7-9-19(21)24-14-16-11-17-15(2)13-22(3,4)25(5)20(17)12-18(16)23/h7-12,14-15H,6,13H2,1-5H3/b24-14+.
What are the key properties of 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine?
1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine has a molecular weight of 370.92 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(2-ethoxyphenyl)methanimine is sourced from PubChem (CID 50859098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).