N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine

C19H20FN3O2 — CID 154864206

IUPACN'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(NCCNc2ccnc3cc(F)ccc23)cc(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-24-15-10-14(11-16(12-15)25-2)21-7-8-23-18-5-6-22-19-9-13(20)3-4-17(18)19/h3-6,9-12,21H,7-8H2,1-2H3,(H,22,23)
InChIKeyVPMGBFSKEGIUKC-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.92
Rot. Bonds7

About N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine

N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine (PubChem CID 154864206) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
PubChem CID154864206
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cc(NCCNc2ccnc3cc(F)ccc23)cc(OC)c1
InChIInChI=1S/C19H20FN3O2/c1-24-15-10-14(11-16(12-15)25-2)21-7-8-23-18-5-6-22-19-9-13(20)3-4-17(18)19/h3-6,9-12,21H,7-8H2,1-2H3,(H,22,23)
InChIKeyVPMGBFSKEGIUKC-UHFFFAOYSA-N
XLogP3.92
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine (CID 154864206) is N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine is COc1cc(NCCNc2ccnc3cc(F)ccc23)cc(OC)c1.
What is the InChIKey of N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is VPMGBFSKEGIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-24-15-10-14(11-16(12-15)25-2)21-7-8-23-18-5-6-22-19-9-13(20)3-4-17(18)19/h3-6,9-12,21H,7-8H2,1-2H3,(H,22,23).
What are the key properties of N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine?
N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 341.39 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxyphenyl)-N-(7-fluoroquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 154864206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).