5-propan-2-yloxyquinolin-8-amine

C12H14N2O — CID 43449641

IUPAC5-propan-2-yloxyquinolin-8-amine
SMILESCC(C)Oc1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2O/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3
InChIKeySIXJTKCHHHFTTJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.60
Rot. Bonds2

About 5-propan-2-yloxyquinolin-8-amine

5-propan-2-yloxyquinolin-8-amine (PubChem CID 43449641) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-propan-2-yloxyquinolin-8-amine.

Molecular Properties

Compound Name5-propan-2-yloxyquinolin-8-amine
PubChem CID43449641
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name5-propan-2-yloxyquinolin-8-amine
SMILESCC(C)Oc1ccc(N)c2ncccc12
InChIInChI=1S/C12H14N2O/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3
InChIKeySIXJTKCHHHFTTJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-propan-2-yloxyquinolin-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

4-propan-2-yloxyquinolin-8-amine
CID 83060477
2-(8-aminoquinolin-5-yl)oxy-N-carbamoylpropanamide
CID 116524840
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-(methoxymethoxy)quinolin-8-amine
CID 116524711
2-(8-aminoquinolin-5-yl)oxy-N-propylpropanamide
CID 116524725
4-(3-methylbutan-2-yloxy)quinolin-8-amine
CID 83060997
5-(pyrimidin-2-ylmethoxy)quinolin-8-amine
CID 116524814
5-(3,3-dimethylbutoxy)quinolin-8-amine
CID 66233789
5-propan-2-ylsulfanylquinolin-8-amine
CID 60886799
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]quinolin-8-amine
CID 116524713
5-(4-chloro-2,6-dimethylphenoxy)quinolin-8-amine
CID 43449591
5-(2,5-dimethylphenoxy)quinolin-8-amine
CID 43449609

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxyquinolin-8-amine?
The IUPAC name of 5-propan-2-yloxyquinolin-8-amine (CID 43449641) is 5-propan-2-yloxyquinolin-8-amine.
What is the SMILES notation for 5-propan-2-yloxyquinolin-8-amine?
The canonical SMILES for 5-propan-2-yloxyquinolin-8-amine is CC(C)Oc1ccc(N)c2ncccc12.
What is the InChIKey of 5-propan-2-yloxyquinolin-8-amine?
The InChIKey is SIXJTKCHHHFTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)15-11-6-5-10(13)12-9(11)4-3-7-14-12/h3-8H,13H2,1-2H3.
What are the key properties of 5-propan-2-yloxyquinolin-8-amine?
5-propan-2-yloxyquinolin-8-amine has a molecular weight of 202.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxyquinolin-8-amine is sourced from PubChem (CID 43449641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).