N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine

C28H28F3N3 — CID 72703270

IUPACN,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine
SMILESCCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C28H28F3N3/c1-3-33(4-2)18-19-34-17-16-26(25-15-12-23(20-27(25)34)28(29,30)31)32-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b32-26+
InChIKeyHSQUSIKNDZFDED-HMZBKAONSA-N
MW463.55 g/mol
LogP6.90
Rot. Bonds7

About N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine

N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine (PubChem CID 72703270) has the molecular formula C28H28F3N3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine
PubChem CID72703270
Molecular FormulaC28H28F3N3
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC NameN,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine
SMILESCCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C28H28F3N3/c1-3-33(4-2)18-19-34-17-16-26(25-15-12-23(20-27(25)34)28(29,30)31)32-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b32-26+
InChIKeyHSQUSIKNDZFDED-HMZBKAONSA-N
XLogP6.90
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.55
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 656767
CID 656767
CID 44298928
CID 44298928
CID 10431492
CID 10431492
CID 60167498
CID 60167498
CID 71682957
CID 71682957
CID 72703271
CID 72703271
CID 72703484
CID 72703484
CID 72703485
CID 72703485
CID 72703486
CID 72703486
CID 72703697
CID 72703697
CID 72703699
CID 72703699
CID 19766234
CID 19766234

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine (CID 72703270) is N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine is CCN(CC)CCn1cc/c(=N\c2ccc(-c3ccccc3)cc2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine?
The InChIKey is HSQUSIKNDZFDED-HMZBKAONSA-N. The full InChI is InChI=1S/C28H28F3N3/c1-3-33(4-2)18-19-34-17-16-26(25-15-12-23(20-27(25)34)28(29,30)31)32-24-13-10-22(11-14-24)21-8-6-5-7-9-21/h5-17,20H,3-4,18-19H2,1-2H3/b32-26+.
What are the key properties of N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine?
N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine has a molecular weight of 463.55 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(4-phenylphenyl)imino-7-(trifluoromethyl)quinolin-1-yl]ethanamine is sourced from PubChem (CID 72703270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).