(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine

C27H24N2 — CID 129215711

IUPAC(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine
SMILESC/C(=C\C(C)=N\c1cccc2c(-c3ccccc3)cc(C)nc12)c1ccccc1
InChIInChI=1S/C27H24N2/c1-19(22-11-6-4-7-12-22)17-20(2)28-26-16-10-15-24-25(18-21(3)29-27(24)26)23-13-8-5-9-14-23/h4-18H,1-3H3/b19-17+,28-20+
InChIKeyANLJYSYXOFUAEA-YALMMEOSSA-N
MW376.50 g/mol
LogP7.41
Rot. Bonds4

About (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine

(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine (PubChem CID 129215711) has the molecular formula C27H24N2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine
PubChem CID129215711
Molecular FormulaC27H24N2
Molecular Weight376.50 g/mol
Exact Mass376.19
IUPAC Name(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine
SMILESC/C(=C\C(C)=N\c1cccc2c(-c3ccccc3)cc(C)nc12)c1ccccc1
InChIInChI=1S/C27H24N2/c1-19(22-11-6-4-7-12-22)17-20(2)28-26-16-10-15-24-25(18-21(3)29-27(24)26)23-13-8-5-9-14-23/h4-18H,1-3H3/b19-17+,28-20+
InChIKeyANLJYSYXOFUAEA-YALMMEOSSA-N
XLogP7.41
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine with MolForge

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Related Compounds

2-methyl-4-phenylquinolin-8-ol;phenol
CID 174796538
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
CID 155148831
2-[2,5-dimethyl-4-(9-methyl-4,7-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-9-methyl-4,7-diphenyl-1,10-phenanthroline
CID 59736414
2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;sulfo hydrogen sulfate
CID 69027063
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;methanesulfonate;hydrate
CID 154701020
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
2,9-dimethyl-5-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 171419180
2,9-dimethyl-4,7-bis(4-methylphenyl)-1,10-phenanthroline
CID 71202847
bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
CID 87699606
2,10-dimethyl-4,7-diphenyl-8,9-dihydro-7H-pyrido[3,2-i][1]benzazepine
CID 142196308
2-methyl-4-(2-phenylphenyl)quinoline-6-carboxamide
CID 167445709

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine?
The IUPAC name of (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine (CID 129215711) is (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine.
What is the SMILES notation for (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine?
The canonical SMILES for (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine is C/C(=C\C(C)=N\c1cccc2c(-c3ccccc3)cc(C)nc12)c1ccccc1.
What is the InChIKey of (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine?
The InChIKey is ANLJYSYXOFUAEA-YALMMEOSSA-N. The full InChI is InChI=1S/C27H24N2/c1-19(22-11-6-4-7-12-22)17-20(2)28-26-16-10-15-24-25(18-21(3)29-27(24)26)23-13-8-5-9-14-23/h4-18H,1-3H3/b19-17+,28-20+.
What are the key properties of (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine?
(E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine has a molecular weight of 376.50 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-4-phenylquinolin-8-yl)-4-phenylpent-3-en-2-imine is sourced from PubChem (CID 129215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).