4-N-(3-butoxypropyl)quinoline-4,7-diamine

C16H23N3O — CID 103001799

IUPAC4-N-(3-butoxypropyl)quinoline-4,7-diamine
SMILESCCCCOCCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H23N3O/c1-2-3-10-20-11-4-8-18-15-7-9-19-16-12-13(17)5-6-14(15)16/h5-7,9,12H,2-4,8,10-11,17H2,1H3,(H,18,19)
InChIKeyMZHFBZSAXVHXPY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds8

About 4-N-(3-butoxypropyl)quinoline-4,7-diamine

4-N-(3-butoxypropyl)quinoline-4,7-diamine (PubChem CID 103001799) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-N-(3-butoxypropyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-butoxypropyl)quinoline-4,7-diamine
PubChem CID103001799
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-N-(3-butoxypropyl)quinoline-4,7-diamine
SMILESCCCCOCCCNc1ccnc2cc(N)ccc12
InChIInChI=1S/C16H23N3O/c1-2-3-10-20-11-4-8-18-15-7-9-19-16-12-13(17)5-6-14(15)16/h5-7,9,12H,2-4,8,10-11,17H2,1H3,(H,18,19)
InChIKeyMZHFBZSAXVHXPY-UHFFFAOYSA-N
XLogP3.44
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
6-butoxyhexan-1-amine;N-(6-butoxyhexyl)quinolin-4-amine
CID 118576144
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(7-aminoquinolin-4-yl)amino]-N-propylpropanamide
CID 103000936
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-butoxypropyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(3-butoxypropyl)quinoline-4,7-diamine (CID 103001799) is 4-N-(3-butoxypropyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-butoxypropyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(3-butoxypropyl)quinoline-4,7-diamine is CCCCOCCCNc1ccnc2cc(N)ccc12.
What is the InChIKey of 4-N-(3-butoxypropyl)quinoline-4,7-diamine?
The InChIKey is MZHFBZSAXVHXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-10-20-11-4-8-18-15-7-9-19-16-12-13(17)5-6-14(15)16/h5-7,9,12H,2-4,8,10-11,17H2,1H3,(H,18,19).
What are the key properties of 4-N-(3-butoxypropyl)quinoline-4,7-diamine?
4-N-(3-butoxypropyl)quinoline-4,7-diamine has a molecular weight of 273.38 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-butoxypropyl)quinoline-4,7-diamine is sourced from PubChem (CID 103001799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).