2-chloroaniline;quinolin-8-ol

C15H13ClN2O — CID 70504979

IUPAC2-chloroaniline;quinolin-8-ol
SMILESNc1ccccc1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.C6H6ClN/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-3-1-2-4-6(5)8/h1-6,11H;1-4H,8H2
InChIKeyPMHYJRIRRJDSRT-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.86
Rot. Bonds

About 2-chloroaniline;quinolin-8-ol

2-chloroaniline;quinolin-8-ol (PubChem CID 70504979) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloroaniline;quinolin-8-ol.

Molecular Properties

Compound Name2-chloroaniline;quinolin-8-ol
PubChem CID70504979
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-chloroaniline;quinolin-8-ol
SMILESNc1ccccc1Cl.Oc1cccc2cccnc12
InChIInChI=1S/C9H7NO.C6H6ClN/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-3-1-2-4-6(5)8/h1-6,11H;1-4H,8H2
InChIKeyPMHYJRIRRJDSRT-UHFFFAOYSA-N
XLogP3.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloroaniline;quinolin-8-ol 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

CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
zinc quinolin-8-ol
CID 22057723
CID 87330016
CID 87330016
CID 6381061
CID 6381061
methanol;quinolin-8-ol
CID 161490698
CID 174914731
CID 174914731
cobalt;methanediamine;bis(quinolin-8-ol)
CID 87691611
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201
4-aminophenol;quinolin-8-ol
CID 175315469
2-pyridin-2-ylpyridine;quinolin-8-ol
CID 67892593

Frequently Asked Questions

What is the IUPAC name of 2-chloroaniline;quinolin-8-ol?
The IUPAC name of 2-chloroaniline;quinolin-8-ol (CID 70504979) is 2-chloroaniline;quinolin-8-ol.
What is the SMILES notation for 2-chloroaniline;quinolin-8-ol?
The canonical SMILES for 2-chloroaniline;quinolin-8-ol is Nc1ccccc1Cl.Oc1cccc2cccnc12.
What is the InChIKey of 2-chloroaniline;quinolin-8-ol?
The InChIKey is PMHYJRIRRJDSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C6H6ClN/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-5-3-1-2-4-6(5)8/h1-6,11H;1-4H,8H2.
What are the key properties of 2-chloroaniline;quinolin-8-ol?
2-chloroaniline;quinolin-8-ol has a molecular weight of 272.74 g/mol, XLogP of 3.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroaniline;quinolin-8-ol is sourced from PubChem (CID 70504979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).