(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H19FN2O2 — CID 166270376

IUPAC(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOC1CC(N)(C(=O)N2CCc3cc(F)ccc3C2)C1
InChIInChI=1S/C15H19FN2O2/c1-20-13-7-15(17,8-13)14(19)18-5-4-10-6-12(16)3-2-11(10)9-18/h2-3,6,13H,4-5,7-9,17H2,1H3
InChIKeyLGVGQWWWNPJAPO-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.22
Rot. Bonds2

About (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 166270376) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID166270376
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOC1CC(N)(C(=O)N2CCc3cc(F)ccc3C2)C1
InChIInChI=1S/C15H19FN2O2/c1-20-13-7-15(17,8-13)14(19)18-5-4-10-6-12(16)3-2-11(10)9-18/h2-3,6,13H,4-5,7-9,17H2,1H3
InChIKeyLGVGQWWWNPJAPO-UHFFFAOYSA-N
XLogP1.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(1-amino-3-methoxycyclobutyl)-(8-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 167948360
5-[2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-2-one
CID 138036855
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
1-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(5-fluoro-1H-indol-3-yl)ethanone
CID 127264792
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705217
(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 146127042
3-(4-fluorophenyl)-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110726101
(3-fluorophenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726071
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 175773475
4-[(6-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022954

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 166270376) is (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COC1CC(N)(C(=O)N2CCc3cc(F)ccc3C2)C1.
What is the InChIKey of (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is LGVGQWWWNPJAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-20-13-7-15(17,8-13)14(19)18-5-4-10-6-12(16)3-2-11(10)9-18/h2-3,6,13H,4-5,7-9,17H2,1H3.
What are the key properties of (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methoxycyclobutyl)-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 166270376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).