8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine

C12H11ClN2O — CID 107899466

IUPAC8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
SMILESNc1ccc(OC/C=C/Cl)c2ncccc12
InChIInChI=1S/C12H11ClN2O/c13-6-2-8-16-11-5-4-10(14)9-3-1-7-15-12(9)11/h1-7H,8,14H2/b6-2+
InChIKeyFJERLKZBRPFKHY-QHHAFSJGSA-N
MW234.69 g/mol
LogP2.95
Rot. Bonds3

About 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine

8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine (PubChem CID 107899466) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine.

Molecular Properties

Compound Name8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
PubChem CID107899466
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine
SMILESNc1ccc(OC/C=C/Cl)c2ncccc12
InChIInChI=1S/C12H11ClN2O/c13-6-2-8-16-11-5-4-10(14)9-3-1-7-15-12(9)11/h1-7H,8,14H2/b6-2+
InChIKeyFJERLKZBRPFKHY-QHHAFSJGSA-N
XLogP2.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-3-chloroprop-2-enoxy]quinoline-8-sulfonamide
CID 103045348
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
8-(2-methoxypropoxy)quinolin-5-amine
CID 113382666
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
2-chloro-3-(3-chloroprop-2-enoxy)pyridine
CID 77056049
8-(4-chlorophenoxy)quinolin-5-amine
CID 43450277
8-[(2,4-dichlorophenyl)methoxy]quinolin-5-amine
CID 60864766
8-[(3-chloro-4-pyridinyl)oxy]quinolin-5-amine
CID 79840623
8-cyclopropyloxyquinolin-5-amine
CID 156698468
8-[(3-chloro-2-fluorophenyl)methoxy]quinolin-5-amine
CID 102855349

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine?
The IUPAC name of 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine (CID 107899466) is 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine.
What is the SMILES notation for 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine?
The canonical SMILES for 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine is Nc1ccc(OC/C=C/Cl)c2ncccc12.
What is the InChIKey of 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine?
The InChIKey is FJERLKZBRPFKHY-QHHAFSJGSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-6-2-8-16-11-5-4-10(14)9-3-1-7-15-12(9)11/h1-7H,8,14H2/b6-2+.
What are the key properties of 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine?
8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine has a molecular weight of 234.69 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-chloroprop-2-enoxy]quinolin-5-amine is sourced from PubChem (CID 107899466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).