2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine

C27H28ClN3 — CID 72703062

IUPAC2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C27H28ClN3/c1-3-30(4-2)18-19-31-17-16-26(25-15-12-23(28)20-27(25)31)29-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b29-26+
InChIKeyRMZZRYQAJOEZOV-PBBVDAKRSA-N
MW430.00 g/mol
LogP6.54
Rot. Bonds7

About 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine

2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine (PubChem CID 72703062) has the molecular formula C27H28ClN3 and a molecular weight of 430.00 g/mol. Its IUPAC name is 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine
PubChem CID72703062
Molecular FormulaC27H28ClN3
Molecular Weight430.00 g/mol
Exact Mass429.20
IUPAC Name2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21
InChIInChI=1S/C27H28ClN3/c1-3-30(4-2)18-19-31-17-16-26(25-15-12-23(28)20-27(25)31)29-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b29-26+
InChIKeyRMZZRYQAJOEZOV-PBBVDAKRSA-N
XLogP6.54
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.00
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine (CID 72703062) is 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine?
The InChIKey is RMZZRYQAJOEZOV-PBBVDAKRSA-N. The full InChI is InChI=1S/C27H28ClN3/c1-3-30(4-2)18-19-31-17-16-26(25-15-12-23(28)20-27(25)31)29-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b29-26+.
What are the key properties of 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine?
2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine has a molecular weight of 430.00 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-4-(4-phenylphenyl)iminoquinolin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 72703062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).