2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid

C30H22N2O2 — CID 3875764

IUPAC2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C30H22N2O2/c33-30(34)28-21-23(31-29-14-8-7-13-27(28)29)18-15-22-16-19-26(20-17-22)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-21H,(H,33,34)
InChIKeyKNGHFHJFGYFOKL-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.57
Rot. Bonds6

About 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid

2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid (PubChem CID 3875764) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
PubChem CID3875764
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C30H22N2O2/c33-30(34)28-21-23(31-29-14-8-7-13-27(28)29)18-15-22-16-19-26(20-17-22)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-21H,(H,33,34)
InChIKeyKNGHFHJFGYFOKL-UHFFFAOYSA-N
XLogP7.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline-4-carboxylic acid
CID 7720796
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
2-[(E)-2-thiophen-3-ylethenyl]quinoline-4-carboxylic acid
CID 6299494
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
2-[(E)-2-(4-cyanophenyl)ethenyl]quinoline-4-carboxylate
CID 7988327
2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901
4-[(E)-2-(4-carboxyquinolin-2-yl)ethenyl]-2-chloro-6-hydroxyphenolate
CID 135749986
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
2-[(E)-2-(4-propoxyphenyl)ethenyl]quinoline-4-carboxylate
CID 7895126
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid (CID 3875764) is 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid?
The InChIKey is KNGHFHJFGYFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-30(34)28-21-23(31-29-14-8-7-13-27(28)29)18-15-22-16-19-26(20-17-22)32(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-21H,(H,33,34).
What are the key properties of 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid?
2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid has a molecular weight of 442.52 g/mol, XLogP of 7.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(N-phenylanilino)phenyl]ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 3875764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).