8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine

C15H13ClFN3S — CID 106036856

IUPAC8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine
SMILESNc1cc(F)c(NCCc2ccc(Cl)s2)c2ncccc12
InChIInChI=1S/C15H13ClFN3S/c16-13-4-3-9(21-13)5-7-20-15-11(17)8-12(18)10-2-1-6-19-14(10)15/h1-4,6,8,20H,5,7,18H2
InChIKeyBWAGQFSPQKVNKN-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.33
Rot. Bonds4

About 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine

8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine (PubChem CID 106036856) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine
PubChem CID106036856
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine
SMILESNc1cc(F)c(NCCc2ccc(Cl)s2)c2ncccc12
InChIInChI=1S/C15H13ClFN3S/c16-13-4-3-9(21-13)5-7-20-15-11(17)8-12(18)10-2-1-6-19-14(10)15/h1-4,6,8,20H,5,7,18H2
InChIKeyBWAGQFSPQKVNKN-UHFFFAOYSA-N
XLogP4.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(quinolin-8-yl)thiophene-2-sulfonamide
CID 4729240
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 11749138
7-chloro-N-[3-[4-[3-(thiophen-3-ylmethylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 10950564
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 11846958
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 11846961
N'-butyl-N-(7-chloroquinolin-4-yl)-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 45272782
7-chloro-N-[[5-(pyrrolidin-1-ylmethyl)-2-thienyl]methyl]quinolin-4-amine
CID 71454606
7-(5-Chlorothiophen-2-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
CID 71579334
N-[[5-(4-aminophenyl)thiophen-2-yl]methyl]-N'-(7-chloroquinolin-4-yl)ethane-1,2-diamine;hydrochloride
CID 118728619
N-[[5-(4-aminophenyl)thiophen-2-yl]methyl]-N'-(7-chloroquinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 118728621
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 118728623
N'-(7-chloroquinolin-4-yl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]propane-1,3-diamine
CID 118728624

Frequently Asked Questions

What is the IUPAC name of 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine?
The IUPAC name of 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine (CID 106036856) is 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine.
What is the SMILES notation for 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine?
The canonical SMILES for 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine is Nc1cc(F)c(NCCc2ccc(Cl)s2)c2ncccc12.
What is the InChIKey of 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine?
The InChIKey is BWAGQFSPQKVNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c16-13-4-3-9(21-13)5-7-20-15-11(17)8-12(18)10-2-1-6-19-14(10)15/h1-4,6,8,20H,5,7,18H2.
What are the key properties of 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine?
8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine has a molecular weight of 321.81 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[2-(5-chlorothiophen-2-yl)ethyl]-7-fluoroquinoline-5,8-diamine is sourced from PubChem (CID 106036856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).