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

C22H26Cl2N2O — CID 50861157

IUPAC1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(OC)c(Cl)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26Cl2N2O/c1-6-26-20-11-18(23)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-21(27-5)19(24)10-16/h7-11,13-14H,6,12H2,1-5H3/b25-13+
InChIKeyAZQLSGMKDLOXIB-DHRITJCHSA-N
MW405.37 g/mol
LogP6.86
Rot. Bonds4

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

1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine (PubChem CID 50861157) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
PubChem CID50861157
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine
SMILESCCN1c2cc(Cl)c(/C=N/c3ccc(OC)c(Cl)c3)cc2C(C)CC1(C)C
InChIInChI=1S/C22H26Cl2N2O/c1-6-26-20-11-18(23)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-21(27-5)19(24)10-16/h7-11,13-14H,6,12H2,1-5H3/b25-13+
InChIKeyAZQLSGMKDLOXIB-DHRITJCHSA-N
XLogP6.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 56.86
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-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine?
The IUPAC name of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine (CID 50861157) is 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine is CCN1c2cc(Cl)c(/C=N/c3ccc(OC)c(Cl)c3)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-(3-chloro-4-methoxyphenyl)methanimine?
The InChIKey is AZQLSGMKDLOXIB-DHRITJCHSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c1-6-26-20-11-18(23)15(9-17(20)14(2)12-22(26,3)4)13-25-16-7-8-21(27-5)19(24)10-16/h7-11,13-14H,6,12H2,1-5H3/b25-13+.
What are the key properties of 1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine?
1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine has a molecular weight of 405.37 g/mol, XLogP of 6.86, 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-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-chloro-4-methoxyphenyl)methanimine is sourced from PubChem (CID 50861157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).