1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane

C24H34N2 — CID 157427941

IUPAC1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
SMILESCC.CC.CC.Cc1nc2ccccc2c(C)c1/C=N/c1ccccc1
InChIInChI=1S/C18H16N2.3C2H6/c1-13-16-10-6-7-11-18(16)20-14(2)17(13)12-19-15-8-4-3-5-9-15;3*1-2/h3-12H,1-2H3;3*1-2H3/b19-12+;;;
InChIKeyBQEJRHJQCSAFQG-VEWWMAHHSA-N
MW350.55 g/mol
LogP7.68
Rot. Bonds2

About 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane

1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane (PubChem CID 157427941) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane.

Molecular Properties

Compound Name1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
PubChem CID157427941
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC Name1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane
SMILESCC.CC.CC.Cc1nc2ccccc2c(C)c1/C=N/c1ccccc1
InChIInChI=1S/C18H16N2.3C2H6/c1-13-16-10-6-7-11-18(16)20-14(2)17(13)12-19-15-8-4-3-5-9-15;3*1-2/h3-12H,1-2H3;3*1-2H3/b19-12+;;;
InChIKeyBQEJRHJQCSAFQG-VEWWMAHHSA-N
XLogP7.68
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichloroquinolin-3-yl)-N-phenylmethanimine
CID 2785143
3-hex-1-enyl-2,4-dimethylquinoline
CID 70124767
4-ethyl-2-methylquinoline-3-carbaldehyde
CID 178074817
4-chloro-3-ethenyl-2-methylquinoline
CID 58125410
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
(2E,3Z)-2,3-di(ethylidene)-4-methylquinoline;ethane
CID 143448239
iron(2+);1-[4-methyl-6-(phenyliminomethyl)-2-pyridinyl]-N-phenylmethanimine;dichloride
CID 70013505
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
N-phenyl-1-[2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methanimine
CID 23015340
N,1-diphenylmethanimine
CID 10858
ethane;N-phenylethanimine
CID 91127812

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane?
The IUPAC name of 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane (CID 157427941) is 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane.
What is the SMILES notation for 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane?
The canonical SMILES for 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane is CC.CC.CC.Cc1nc2ccccc2c(C)c1/C=N/c1ccccc1.
What is the InChIKey of 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane?
The InChIKey is BQEJRHJQCSAFQG-VEWWMAHHSA-N. The full InChI is InChI=1S/C18H16N2.3C2H6/c1-13-16-10-6-7-11-18(16)20-14(2)17(13)12-19-15-8-4-3-5-9-15;3*1-2/h3-12H,1-2H3;3*1-2H3/b19-12+;;;.
What are the key properties of 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane?
1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane has a molecular weight of 350.55 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylquinolin-3-yl)-N-phenylmethanimine;ethane is sourced from PubChem (CID 157427941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).