N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

C22H24Cl2N2 — CID 50868469

IUPACN-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24Cl2N2/c1-5-10-26-21-9-6-16(11-18(21)15(2)13-22(26,3)4)14-25-20-8-7-17(23)12-19(20)24/h6-9,11-14H,5,10H2,1-4H3/b25-14+
InChIKeyAPVANNIBBNLBJT-AFUMVMLFSA-N
MW387.35 g/mol
LogP7.16
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine

N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (PubChem CID 50868469) has the molecular formula C22H24Cl2N2 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
PubChem CID50868469
Molecular FormulaC22H24Cl2N2
Molecular Weight387.35 g/mol
Exact Mass386.13
IUPAC NameN-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine
SMILESCCCN1c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C
InChIInChI=1S/C22H24Cl2N2/c1-5-10-26-21-9-6-16(11-18(21)15(2)13-22(26,3)4)14-25-20-8-7-17(23)12-19(20)24/h6-9,11-14H,5,10H2,1-4H3/b25-14+
InChIKeyAPVANNIBBNLBJT-AFUMVMLFSA-N
XLogP7.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 57.16
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 N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine (CID 50868469) is N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is CCCN1c2ccc(/C=N/c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
The InChIKey is APVANNIBBNLBJT-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H24Cl2N2/c1-5-10-26-21-9-6-16(11-18(21)15(2)13-22(26,3)4)14-25-20-8-7-17(23)12-19(20)24/h6-9,11-14H,5,10H2,1-4H3/b25-14+.
What are the key properties of N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine?
N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine has a molecular weight of 387.35 g/mol, XLogP of 7.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(2,2,4-trimethyl-1-propylquinolin-6-yl)methanimine is sourced from PubChem (CID 50868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).