N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine

C28H30ClN3 — CID 89343405

IUPACN-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C2=Nc3c(C(C)C)cccc3C(C)C2)n1
InChIInChI=1S/C28H30ClN3/c1-16(2)21-9-7-10-22-18(4)15-26(32-28(21)22)25-12-8-11-24(31-25)20(6)30-27-19(5)13-17(3)14-23(27)29/h7-14,16,18H,15H2,1-6H3/b30-20+
InChIKeyLHZUARCPSCGXOQ-TWKHWXDSSA-N
MW444.02 g/mol
LogP8.24
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine

N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine (PubChem CID 89343405) has the molecular formula C28H30ClN3 and a molecular weight of 444.02 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine
PubChem CID89343405
Molecular FormulaC28H30ClN3
Molecular Weight444.02 g/mol
Exact Mass443.21
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C2=Nc3c(C(C)C)cccc3C(C)C2)n1
InChIInChI=1S/C28H30ClN3/c1-16(2)21-9-7-10-22-18(4)15-26(32-28(21)22)25-12-8-11-24(31-25)20(6)30-27-19(5)13-17(3)14-23(27)29/h7-14,16,18H,15H2,1-6H3/b30-20+
InChIKeyLHZUARCPSCGXOQ-TWKHWXDSSA-N
XLogP8.24
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.02
LogP ≤ 58.24
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 N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine (CID 89343405) is N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine is C/C(=N\c1c(C)cc(C)cc1Cl)c1cccc(C2=Nc3c(C(C)C)cccc3C(C)C2)n1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine?
The InChIKey is LHZUARCPSCGXOQ-TWKHWXDSSA-N. The full InChI is InChI=1S/C28H30ClN3/c1-16(2)21-9-7-10-22-18(4)15-26(32-28(21)22)25-12-8-11-24(31-25)20(6)30-27-19(5)13-17(3)14-23(27)29/h7-14,16,18H,15H2,1-6H3/b30-20+.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine?
N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine has a molecular weight of 444.02 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1-[6-(4-methyl-8-propan-2-yl-3,4-dihydroquinolin-2-yl)-2-pyridinyl]ethanimine is sourced from PubChem (CID 89343405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).