4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine

C15H19N3O — CID 106394501

IUPAC4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
SMILESC=CCCOCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-3-9-19-10-8-17-15-12-6-4-5-7-14(12)18-11-13(15)16/h2,4-7,11H,1,3,8-10,16H2,(H,17,18)
InChIKeyFAABQDJXOSDJFR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.82
Rot. Bonds7

About 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine

4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine (PubChem CID 106394501) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
PubChem CID106394501
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
SMILESC=CCCOCCNc1c(N)cnc2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-3-9-19-10-8-17-15-12-6-4-5-7-14(12)18-11-13(15)16/h2,4-7,11H,1,3,8-10,16H2,(H,17,18)
InChIKeyFAABQDJXOSDJFR-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine 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-N-[2-(2-methoxyethoxy)ethyl]quinoline-3,4-diamine
CID 103963149
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-N-(2-but-3-enoxyethyl)pyridine-2,3-diamine
CID 106394208
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(4-methylpentyl)quinoline-3,4-diamine
CID 103963269
N-(2-but-3-enoxyethyl)isoquinolin-1-amine
CID 106405181
4-N-(5-phenylsulfanylpentyl)quinoline-3,4-diamine
CID 86588279
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
N-(2-but-3-enoxyethyl)quinolin-2-amine
CID 103853670

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine (CID 106394501) is 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine is C=CCCOCCNc1c(N)cnc2ccccc12.
What is the InChIKey of 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine?
The InChIKey is FAABQDJXOSDJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-3-9-19-10-8-17-15-12-6-4-5-7-14(12)18-11-13(15)16/h2,4-7,11H,1,3,8-10,16H2,(H,17,18).
What are the key properties of 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine?
4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine is sourced from PubChem (CID 106394501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).