8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine

C15H18FN3 — CID 83164113

IUPAC8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
SMILESCCN(CC1CC1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H18FN3/c1-2-19(9-10-5-6-10)15-12(16)8-13(17)11-4-3-7-18-14(11)15/h3-4,7-8,10H,2,5-6,9,17H2,1H3
InChIKeyHATFYPZXMDUMLW-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.19
Rot. Bonds4

About 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine

8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine (PubChem CID 83164113) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
PubChem CID83164113
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine
SMILESCCN(CC1CC1)c1c(F)cc(N)c2cccnc12
InChIInChI=1S/C15H18FN3/c1-2-19(9-10-5-6-10)15-12(16)8-13(17)11-4-3-7-18-14(11)15/h3-4,7-8,10H,2,5-6,9,17H2,1H3
InChIKeyHATFYPZXMDUMLW-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine (CID 83164113) is 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine is CCN(CC1CC1)c1c(F)cc(N)c2cccnc12.
What is the InChIKey of 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
The InChIKey is HATFYPZXMDUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-19(9-10-5-6-10)15-12(16)8-13(17)11-4-3-7-18-14(11)15/h3-4,7-8,10H,2,5-6,9,17H2,1H3.
What are the key properties of 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine?
8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine has a molecular weight of 259.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(cyclopropylmethyl)-8-N-ethyl-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 83164113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).