Skip to content

[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

C19H22FN3O3 — CID 146492751

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C19H22FN3O3/c1-13-11-25-7-6-23(13)19(24)18-4-2-15-8-16(3-5-17(15)22-18)26-12-14(9-20)10-21/h2-5,8-9,13H,6-7,10-12,21H2,1H3/b14-9+/t13-/m1/s1
InChIKeyPNYMEOUJYJTYJF-OZYJXZHSSA-N
MW359.40 g/mol
LogP2.29
Rot. Bonds5

About [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone

[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 146492751) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID146492751
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C19H22FN3O3/c1-13-11-25-7-6-23(13)19(24)18-4-2-15-8-16(3-5-17(15)22-18)26-12-14(9-20)10-21/h2-5,8-9,13H,6-7,10-12,21H2,1H3/b14-9+/t13-/m1/s1
InChIKeyPNYMEOUJYJTYJF-OZYJXZHSSA-N
XLogP2.29
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone 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-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 146492751) is [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1ccc2cc(OC/C(=C/F)CN)ccc2n1.
What is the InChIKey of [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is PNYMEOUJYJTYJF-OZYJXZHSSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13-11-25-7-6-23(13)19(24)18-4-2-15-8-16(3-5-17(15)22-18)26-12-14(9-20)10-21/h2-5,8-9,13H,6-7,10-12,21H2,1H3/b14-9+/t13-/m1/s1.
What are the key properties of [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 359.40 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 146492751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.