7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine

C23H19ClN2 — CID 46864289

IUPAC7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN2/c1-2-26-15-14-22(21-13-10-19(24)16-23(21)26)25-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b25-22+
InChIKeyAXPGLXCAPDKAJH-YYDJUVGSSA-N
MW358.87 g/mol
LogP6.21
Rot. Bonds3

About 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine

7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine (PubChem CID 46864289) has the molecular formula C23H19ClN2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine.

Molecular Properties

Compound Name7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine
PubChem CID46864289
Molecular FormulaC23H19ClN2
Molecular Weight358.87 g/mol
Exact Mass358.12
IUPAC Name7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C23H19ClN2/c1-2-26-15-14-22(21-13-10-19(24)16-23(21)26)25-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b25-22+
InChIKeyAXPGLXCAPDKAJH-YYDJUVGSSA-N
XLogP6.21
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine?
The IUPAC name of 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine (CID 46864289) is 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine.
What is the SMILES notation for 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine?
The canonical SMILES for 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine is CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine?
The InChIKey is AXPGLXCAPDKAJH-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H19ClN2/c1-2-26-15-14-22(21-13-10-19(24)16-23(21)26)25-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-16H,2H2,1H3/b25-22+.
What are the key properties of 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine?
7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine has a molecular weight of 358.87 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-N-(4-phenylphenyl)quinolin-4-imine is sourced from PubChem (CID 46864289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).