N-phenyl-4-quinolin-5-ylaniline

C21H16N2 — CID 118462701

IUPACN-phenyl-4-quinolin-5-ylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4ncccc34)cc2)cc1
InChIInChI=1S/C21H16N2/c1-2-6-17(7-3-1)23-18-13-11-16(12-14-18)19-8-4-10-21-20(19)9-5-15-22-21/h1-15,23H
InChIKeyNBUPKXVZSDEXOV-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.65
Rot. Bonds3

About N-phenyl-4-quinolin-5-ylaniline

N-phenyl-4-quinolin-5-ylaniline (PubChem CID 118462701) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-phenyl-4-quinolin-5-ylaniline.

Molecular Properties

Compound NameN-phenyl-4-quinolin-5-ylaniline
PubChem CID118462701
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC NameN-phenyl-4-quinolin-5-ylaniline
SMILESc1ccc(Nc2ccc(-c3cccc4ncccc34)cc2)cc1
InChIInChI=1S/C21H16N2/c1-2-6-17(7-3-1)23-18-13-11-16(12-14-18)19-8-4-10-21-20(19)9-5-15-22-21/h1-15,23H
InChIKeyNBUPKXVZSDEXOV-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175088616
CID 175088616
cyclopenta[d][1]benzazepine
CID 90914140
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
1-(4-quinolin-5-ylphenyl)ethanamine
CID 81224129
N-methyl-4-quinolin-5-ylbenzamide
CID 119066467
(2-quinolin-5-ylphenyl)methanol
CID 172649381
5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
5-(3,5-difluorophenyl)quinoline
CID 166308460
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-(quinolin-5-ylamino)benzoic acid
CID 62230854
5-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]quinoline
CID 163908541

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-quinolin-5-ylaniline?
The IUPAC name of N-phenyl-4-quinolin-5-ylaniline (CID 118462701) is N-phenyl-4-quinolin-5-ylaniline.
What is the SMILES notation for N-phenyl-4-quinolin-5-ylaniline?
The canonical SMILES for N-phenyl-4-quinolin-5-ylaniline is c1ccc(Nc2ccc(-c3cccc4ncccc34)cc2)cc1.
What is the InChIKey of N-phenyl-4-quinolin-5-ylaniline?
The InChIKey is NBUPKXVZSDEXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-2-6-17(7-3-1)23-18-13-11-16(12-14-18)19-8-4-10-21-20(19)9-5-15-22-21/h1-15,23H.
What are the key properties of N-phenyl-4-quinolin-5-ylaniline?
N-phenyl-4-quinolin-5-ylaniline has a molecular weight of 296.37 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-quinolin-5-ylaniline is sourced from PubChem (CID 118462701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).