2-quinolin-3-ylaniline

C15H12N2 — CID 4134401

IUPAC2-quinolin-3-ylaniline
SMILESNc1ccccc1-c1cnc2ccccc2c1
InChIInChI=1S/C15H12N2/c16-14-7-3-2-6-13(14)12-9-11-5-1-4-8-15(11)17-10-12/h1-10H,16H2
InChIKeyHWFVBFWEZZFAEB-UHFFFAOYSA-N
MW220.28 g/mol
LogP3.48
Rot. Bonds1

About 2-quinolin-3-ylaniline

2-quinolin-3-ylaniline (PubChem CID 4134401) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-quinolin-3-ylaniline.

Molecular Properties

Compound Name2-quinolin-3-ylaniline
PubChem CID4134401
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name2-quinolin-3-ylaniline
SMILESNc1ccccc1-c1cnc2ccccc2c1
InChIInChI=1S/C15H12N2/c16-14-7-3-2-6-13(14)12-9-11-5-1-4-8-15(11)17-10-12/h1-10H,16H2
InChIKeyHWFVBFWEZZFAEB-UHFFFAOYSA-N
XLogP3.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-quinolin-3-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-methyl-2-(2-methylphenyl)phenyl]quinoline
CID 143871396
3-(2,3-dichlorophenyl)quinoline
CID 175328556
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
4-quinolin-3-yl-2,1,3-benzoxadiazole
CID 91463499
5-quinolin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 118596411
3-pyridin-4-ylquinoline
CID 10081720
3-(2-bromothiophen-3-yl)quinoline
CID 175437139
3-anthracen-9-ylquinoline
CID 170654314
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-3-ylaniline?
The IUPAC name of 2-quinolin-3-ylaniline (CID 4134401) is 2-quinolin-3-ylaniline.
What is the SMILES notation for 2-quinolin-3-ylaniline?
The canonical SMILES for 2-quinolin-3-ylaniline is Nc1ccccc1-c1cnc2ccccc2c1.
What is the InChIKey of 2-quinolin-3-ylaniline?
The InChIKey is HWFVBFWEZZFAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c16-14-7-3-2-6-13(14)12-9-11-5-1-4-8-15(11)17-10-12/h1-10H,16H2.
What are the key properties of 2-quinolin-3-ylaniline?
2-quinolin-3-ylaniline has a molecular weight of 220.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-3-ylaniline is sourced from PubChem (CID 4134401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).