N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide

C18H22FN3O2 — CID 146492847

IUPACN-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)17(23)22-16-7-4-13-8-14(5-6-15(13)21-16)24-11-12(9-19)10-20/h4-9H,10-11,20H2,1-3H3,(H,21,22,23)/b12-9+
InChIKeyZSZSAZVCCODGOZ-FMIVXFBMSA-N
MW331.39 g/mol
LogP3.41
Rot. Bonds5

About N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide

N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 146492847) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
PubChem CID146492847
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC NameN-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc2cc(OC/C(=C/F)CN)ccc2n1
InChIInChI=1S/C18H22FN3O2/c1-18(2,3)17(23)22-16-7-4-13-8-14(5-6-15(13)21-16)24-11-12(9-19)10-20/h4-9H,10-11,20H2,1-3H3,(H,21,22,23)/b12-9+
InChIKeyZSZSAZVCCODGOZ-FMIVXFBMSA-N
XLogP3.41
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

tert-butyl N-[(E)-3-fluoro-2-[[2-[[2-(methylamino)-2-oxoacetyl]amino]quinolin-6-yl]oxymethyl]prop-2-enyl]carbamate
CID 146493254
(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
tert-butyl N-[(E)-2-[[2-(benzenesulfonamido)quinolin-6-yl]oxymethyl]-3-fluoroprop-2-enyl]carbamate
CID 146492899
[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 146492751
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-methyl-N-quinazolin-7-ylbenzamide
CID 146477341
tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate
CID 175852388
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-propyl-1,3-benzothiazol-2-amine
CID 146453965
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-2-[2-[tert-butyl(methyl)amino]ethyl]benzaldehyde
CID 155151137
ethyl (E)-3-[2-acetamido-4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-2-methylprop-2-enoate
CID 137473329
4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N,N,2-trimethylbenzamide
CID 123918652

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide (CID 146492847) is N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc2cc(OC/C(=C/F)CN)ccc2n1.
What is the InChIKey of N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is ZSZSAZVCCODGOZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,3)17(23)22-16-7-4-13-8-14(5-6-15(13)21-16)24-11-12(9-19)10-20/h4-9H,10-11,20H2,1-3H3,(H,21,22,23)/b12-9+.
What are the key properties of N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide?
N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 331.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]quinolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146492847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).