[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid

C16H20FN3O2 — CID 67124471

IUPAC[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid
SMILESCCN(CC)Cc1cc2c(F)cccc2nc1CNC(=O)O
InChIInChI=1S/C16H20FN3O2/c1-3-20(4-2)10-11-8-12-13(17)6-5-7-14(12)19-15(11)9-18-16(21)22/h5-8,18H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyNNVOPFWJLGSOET-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.98
Rot. Bonds6

About [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid

[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid (PubChem CID 67124471) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid
PubChem CID67124471
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid
SMILESCCN(CC)Cc1cc2c(F)cccc2nc1CNC(=O)O
InChIInChI=1S/C16H20FN3O2/c1-3-20(4-2)10-11-8-12-13(17)6-5-7-14(12)19-15(11)9-18-16(21)22/h5-8,18H,3-4,9-10H2,1-2H3,(H,21,22)
InChIKeyNNVOPFWJLGSOET-UHFFFAOYSA-N
XLogP2.98
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid?
The IUPAC name of [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid (CID 67124471) is [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid.
What is the SMILES notation for [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid?
The canonical SMILES for [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid is CCN(CC)Cc1cc2c(F)cccc2nc1CNC(=O)O.
What is the InChIKey of [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid?
The InChIKey is NNVOPFWJLGSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-3-20(4-2)10-11-8-12-13(17)6-5-7-14(12)19-15(11)9-18-16(21)22/h5-8,18H,3-4,9-10H2,1-2H3,(H,21,22).
What are the key properties of [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid?
[3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid has a molecular weight of 305.35 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylaminomethyl)-5-fluoroquinolin-2-yl]methylcarbamic acid is sourced from PubChem (CID 67124471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).