N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine

C22H24FN3 — CID 45051287

IUPACN',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c2c(nc3ccccc13)-c1ccc(F)cc1C2
InChIInChI=1S/C22H24FN3/c1-3-26(4-2)12-11-24-21-18-7-5-6-8-20(18)25-22-17-10-9-16(23)13-15(17)14-19(21)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)
InChIKeyJMNPTIAPLYAUON-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.70
Rot. Bonds6

About N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine

N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine (PubChem CID 45051287) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine
PubChem CID45051287
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC NameN',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1c2c(nc3ccccc13)-c1ccc(F)cc1C2
InChIInChI=1S/C22H24FN3/c1-3-26(4-2)12-11-24-21-18-7-5-6-8-20(18)25-22-17-10-9-16(23)13-15(17)14-19(21)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25)
InChIKeyJMNPTIAPLYAUON-UHFFFAOYSA-N
XLogP4.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine (CID 45051287) is N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine is CCN(CC)CCNc1c2c(nc3ccccc13)-c1ccc(F)cc1C2.
What is the InChIKey of N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine?
The InChIKey is JMNPTIAPLYAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c1-3-26(4-2)12-11-24-21-18-7-5-6-8-20(18)25-22-17-10-9-16(23)13-15(17)14-19(21)22/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,24,25).
What are the key properties of N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine has a molecular weight of 349.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine is sourced from PubChem (CID 45051287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).