5-(3-pyridin-4-ylpropoxy)quinolin-8-amine

C17H17N3O — CID 43449674

IUPAC5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
SMILESNc1ccc(OCCCc2ccncc2)c2cccnc12
InChIInChI=1S/C17H17N3O/c18-15-5-6-16(14-4-1-9-20-17(14)15)21-12-2-3-13-7-10-19-11-8-13/h1,4-11H,2-3,12,18H2
InChIKeyPAUFXXYWCUEGJC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.22
Rot. Bonds5

About 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine

5-(3-pyridin-4-ylpropoxy)quinolin-8-amine (PubChem CID 43449674) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine.

Molecular Properties

Compound Name5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
PubChem CID43449674
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
SMILESNc1ccc(OCCCc2ccncc2)c2cccnc12
InChIInChI=1S/C17H17N3O/c18-15-5-6-16(14-4-1-9-20-17(14)15)21-12-2-3-13-7-10-19-11-8-13/h1,4-11H,2-3,12,18H2
InChIKeyPAUFXXYWCUEGJC-UHFFFAOYSA-N
XLogP3.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine 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

5-(8-aminoquinolin-5-yl)oxypentanenitrile
CID 116524781
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
5-N-(2-pyridin-4-ylethyl)quinoline-5,8-diamine
CID 60915115
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395
5-(thiophen-3-ylmethoxy)quinolin-8-amine
CID 116524803
5-[(2,6-difluorophenyl)methoxy]quinolin-8-amine
CID 114929956
5-propan-2-yloxyquinolin-8-amine
CID 43449641
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine?
The IUPAC name of 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine (CID 43449674) is 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine.
What is the SMILES notation for 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine?
The canonical SMILES for 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine is Nc1ccc(OCCCc2ccncc2)c2cccnc12.
What is the InChIKey of 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine?
The InChIKey is PAUFXXYWCUEGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-15-5-6-16(14-4-1-9-20-17(14)15)21-12-2-3-13-7-10-19-11-8-13/h1,4-11H,2-3,12,18H2.
What are the key properties of 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine?
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine has a molecular weight of 279.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-4-ylpropoxy)quinolin-8-amine is sourced from PubChem (CID 43449674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).