4-N-but-3-enylquinoline-4,7-diamine

C13H15N3 — CID 103001772

IUPAC4-N-but-3-enylquinoline-4,7-diamine
SMILESC=CCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C13H15N3/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h2,4-6,8-9H,1,3,7,14H2,(H,15,16)
InChIKeyVNGRZEXVYVMZCR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.81
Rot. Bonds4

About 4-N-but-3-enylquinoline-4,7-diamine

4-N-but-3-enylquinoline-4,7-diamine (PubChem CID 103001772) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-N-but-3-enylquinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-but-3-enylquinoline-4,7-diamine
PubChem CID103001772
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-N-but-3-enylquinoline-4,7-diamine
SMILESC=CCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C13H15N3/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h2,4-6,8-9H,1,3,7,14H2,(H,15,16)
InChIKeyVNGRZEXVYVMZCR-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000463
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936

Frequently Asked Questions

What is the IUPAC name of 4-N-but-3-enylquinoline-4,7-diamine?
The IUPAC name of 4-N-but-3-enylquinoline-4,7-diamine (CID 103001772) is 4-N-but-3-enylquinoline-4,7-diamine.
What is the SMILES notation for 4-N-but-3-enylquinoline-4,7-diamine?
The canonical SMILES for 4-N-but-3-enylquinoline-4,7-diamine is C=CCCNc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-but-3-enylquinoline-4,7-diamine?
The InChIKey is VNGRZEXVYVMZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-3-7-15-12-6-8-16-13-9-10(14)4-5-11(12)13/h2,4-6,8-9H,1,3,7,14H2,(H,15,16).
What are the key properties of 4-N-but-3-enylquinoline-4,7-diamine?
4-N-but-3-enylquinoline-4,7-diamine has a molecular weight of 213.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-but-3-enylquinoline-4,7-diamine is sourced from PubChem (CID 103001772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).