N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine

C16H20FN3 — CID 63300526

IUPACN-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1cc(F)cc2cccnc12)C1CCNC1
InChIInChI=1S/C16H20FN3/c1-2-20(15-5-7-18-10-15)11-13-9-14(17)8-12-4-3-6-19-16(12)13/h3-4,6,8-9,15,18H,2,5,7,10-11H2,1H3
InChIKeyNMXQQDAVXWEJDS-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.56
Rot. Bonds4

About N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine

N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine (PubChem CID 63300526) has the molecular formula C16H20FN3 and a molecular weight of 273.35 g/mol. Its IUPAC name is N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
PubChem CID63300526
Molecular FormulaC16H20FN3
Molecular Weight273.35 g/mol
Exact Mass273.16
IUPAC NameN-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine
SMILESCCN(Cc1cc(F)cc2cccnc12)C1CCNC1
InChIInChI=1S/C16H20FN3/c1-2-20(15-5-7-18-10-15)11-13-9-14(17)8-12-4-3-6-19-16(12)13/h3-4,6,8-9,15,18H,2,5,7,10-11H2,1H3
InChIKeyNMXQQDAVXWEJDS-UHFFFAOYSA-N
XLogP2.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine (CID 63300526) is N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine is CCN(Cc1cc(F)cc2cccnc12)C1CCNC1.
What is the InChIKey of N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine?
The InChIKey is NMXQQDAVXWEJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-2-20(15-5-7-18-10-15)11-13-9-14(17)8-12-4-3-6-19-16(12)13/h3-4,6,8-9,15,18H,2,5,7,10-11H2,1H3.
What are the key properties of N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine?
N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine has a molecular weight of 273.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63300526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).