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

C19H22FN3O3 — CID 146492751

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

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Related Compounds

[4-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1-bicyclo[2.2.2]octanyl]-[(3S)-3-methylmorpholin-4-yl]methanone
CID 146623443
(4-aminoquinolin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774608
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
CID 175408443
(E)-3-fluoro-2-[[2-(2-propan-2-yloxyethoxy)quinolin-6-yl]oxymethyl]prop-2-en-1-amine
CID 146492865
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
tert-butyl N-[(E)-3-fluoro-2-[[2-(morpholine-4-carbonyl)quinazolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146492892
(3-methylmorpholin-4-yl)-(6-propan-2-yl-2-pyridinyl)methanone
CID 177347142
morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
[4-(ethylamino)-2-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62167827
(6-methoxypyrazin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 136581263
5-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N-diethylpyridine-2-carboxamide;hydrochloride
CID 155141729
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249

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).