N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine

C24H21ClN2 — CID 71683114

IUPACN-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H21ClN2/c1-2-27-15-14-23(22-13-10-20(25)17-24(22)27)26-21-11-8-19(9-12-21)16-18-6-4-3-5-7-18/h3-15,17H,2,16H2,1H3/b26-23+
InChIKeyPBIKIXDVFVUEDP-WNAAXNPUSA-N
MW372.90 g/mol
LogP6.14
Rot. Bonds4

About N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine

N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine (PubChem CID 71683114) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine.

Molecular Properties

Compound NameN-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine
PubChem CID71683114
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC NameN-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine
SMILESCCn1cc/c(=N\c2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C24H21ClN2/c1-2-27-15-14-23(22-13-10-20(25)17-24(22)27)26-21-11-8-19(9-12-21)16-18-6-4-3-5-7-18/h3-15,17H,2,16H2,1H3/b26-23+
InChIKeyPBIKIXDVFVUEDP-WNAAXNPUSA-N
XLogP6.14
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine?
The IUPAC name of N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine (CID 71683114) is N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine.
What is the SMILES notation for N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine?
The canonical SMILES for N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine is CCn1cc/c(=N\c2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine?
The InChIKey is PBIKIXDVFVUEDP-WNAAXNPUSA-N. The full InChI is InChI=1S/C24H21ClN2/c1-2-27-15-14-23(22-13-10-20(25)17-24(22)27)26-21-11-8-19(9-12-21)16-18-6-4-3-5-7-18/h3-15,17H,2,16H2,1H3/b26-23+.
What are the key properties of N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine?
N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine has a molecular weight of 372.90 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylphenyl)-7-chloro-1-ethylquinolin-4-imine is sourced from PubChem (CID 71683114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).