6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine

C18H23FN2O2 — CID 133394297

IUPAC6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
SMILESCc1cc(NCCCOCC2CCOC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H23FN2O2/c1-13-9-18(16-10-15(19)3-4-17(16)21-13)20-6-2-7-22-11-14-5-8-23-12-14/h3-4,9-10,14H,2,5-8,11-12H2,1H3,(H,20,21)
InChIKeyPVHKKJOZVDKCTO-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.54
Rot. Bonds7

About 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine

6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine (PubChem CID 133394297) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
PubChem CID133394297
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine
SMILESCc1cc(NCCCOCC2CCOC2)c2cc(F)ccc2n1
InChIInChI=1S/C18H23FN2O2/c1-13-9-18(16-10-15(19)3-4-17(16)21-13)20-6-2-7-22-11-14-5-8-23-12-14/h3-4,9-10,14H,2,5-8,11-12H2,1H3,(H,20,21)
InChIKeyPVHKKJOZVDKCTO-UHFFFAOYSA-N
XLogP3.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine?
The IUPAC name of 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine (CID 133394297) is 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine is Cc1cc(NCCCOCC2CCOC2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine?
The InChIKey is PVHKKJOZVDKCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13-9-18(16-10-15(19)3-4-17(16)21-13)20-6-2-7-22-11-14-5-8-23-12-14/h3-4,9-10,14H,2,5-8,11-12H2,1H3,(H,20,21).
What are the key properties of 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine?
6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine has a molecular weight of 318.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[3-(oxolan-3-ylmethoxy)propyl]quinolin-4-amine is sourced from PubChem (CID 133394297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).