(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine

C23H28N2 — CID 139353420

IUPAC(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine
SMILESC/N=C/C(=C1\Nc2c(C)cccc2C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C23H28N2/c1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24-6)17-12-8-7-9-13-17/h7-15,25H,1-6H3/b21-18+,24-15+
InChIKeyHFBJLOGWRSXUBW-FFWBGTRHSA-N
MW332.49 g/mol
LogP5.84
Rot. Bonds2

About (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine

(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine (PubChem CID 139353420) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine.

Molecular Properties

Compound Name(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine
PubChem CID139353420
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine
SMILESC/N=C/C(=C1\Nc2c(C)cccc2C(C)(C)C1(C)C)c1ccccc1
InChIInChI=1S/C23H28N2/c1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24-6)17-12-8-7-9-13-17/h7-15,25H,1-6H3/b21-18+,24-15+
InChIKeyHFBJLOGWRSXUBW-FFWBGTRHSA-N
XLogP5.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine with MolForge

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Related Compounds

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CID 164671389
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CID 177102350
4-methyl-9-phenylfluoren-9-ol
CID 22117630
1,4-dimethylnaphthalene-1,4-diol
CID 14120481
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
(3S)-3-hydroxy-7-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502313
1-N-methyl-2-N-(1-phenylethenyl)propane-1,2-diimine
CID 134331110
4-methyl-9,9-diphenylfluorene
CID 123595050
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
(1S)-1,2,2,3,3,4-hexamethylinden-1-ol
CID 141477428
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine?
The IUPAC name of (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine (CID 139353420) is (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine.
What is the SMILES notation for (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine?
The canonical SMILES for (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine is C/N=C/C(=C1\Nc2c(C)cccc2C(C)(C)C1(C)C)c1ccccc1.
What is the InChIKey of (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine?
The InChIKey is HFBJLOGWRSXUBW-FFWBGTRHSA-N. The full InChI is InChI=1S/C23H28N2/c1-16-11-10-14-19-20(16)25-21(23(4,5)22(19,2)3)18(15-24-6)17-12-8-7-9-13-17/h7-15,25H,1-6H3/b21-18+,24-15+.
What are the key properties of (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine?
(2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine has a molecular weight of 332.49 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-(3,3,4,4,8-pentamethyl-1H-quinolin-2-ylidene)-2-phenylethanimine is sourced from PubChem (CID 139353420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).