8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine

C15H21FN4 — CID 83164454

IUPAC8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
SMILESCN(C)CCCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H21FN4/c1-20(2)9-4-3-7-19-15-12(16)10-13(17)11-6-5-8-18-14(11)15/h5-6,8,10,19H,3-4,7,9,17H2,1-2H3
InChIKeySDFRPSFWDVFAGV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.71
Rot. Bonds6

About 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine

8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 83164454) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
PubChem CID83164454
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine
SMILESCN(C)CCCCNc1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H21FN4/c1-20(2)9-4-3-7-19-15-12(16)10-13(17)11-6-5-8-18-14(11)15/h5-6,8,10,19H,3-4,7,9,17H2,1-2H3
InChIKeySDFRPSFWDVFAGV-UHFFFAOYSA-N
XLogP2.71
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine (CID 83164454) is 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine is CN(C)CCCCNc1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is SDFRPSFWDVFAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-20(2)9-4-3-7-19-15-12(16)10-13(17)11-6-5-8-18-14(11)15/h5-6,8,10,19H,3-4,7,9,17H2,1-2H3.
What are the key properties of 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine?
8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 276.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[4-(dimethylamino)butyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83164454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).