1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine

C22H27ClN2 — CID 50861116

IUPAC1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-6-25-21-12-20(23)17(11-19(21)16(3)13-22(25,4)5)14-24-18-9-7-15(2)8-10-18/h7-12,14,16H,6,13H2,1-5H3/b24-14+
InChIKeyFSMSEDKPDGNXAY-ZVHZXABRSA-N
MW354.93 g/mol
LogP6.51
Rot. Bonds3

About 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine

1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine (PubChem CID 50861116) has the molecular formula C22H27ClN2 and a molecular weight of 354.93 g/mol. Its IUPAC name is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
PubChem CID50861116
Molecular FormulaC22H27ClN2
Molecular Weight354.93 g/mol
Exact Mass354.19
IUPAC Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(C)cc3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H27ClN2/c1-6-25-21-12-20(23)17(11-19(21)16(3)13-22(25,4)5)14-24-18-9-7-15(2)8-10-18/h7-12,14,16H,6,13H2,1-5H3/b24-14+
InChIKeyFSMSEDKPDGNXAY-ZVHZXABRSA-N
XLogP6.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.93
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine (CID 50861116) is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine is CCN1c2cc(Cl)c(/C=N/c3ccc(C)cc3)cc2C(C)CC1(C)C.
What is the InChIKey of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine?
The InChIKey is FSMSEDKPDGNXAY-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H27ClN2/c1-6-25-21-12-20(23)17(11-19(21)16(3)13-22(25,4)5)14-24-18-9-7-15(2)8-10-18/h7-12,14,16H,6,13H2,1-5H3/b24-14+.
What are the key properties of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine?
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine has a molecular weight of 354.93 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 50861116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).