8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one

C17H21FN2O2 — CID 97152797

IUPAC8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1cc(=O)c2cccc(F)c2[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C17H21FN2O2/c1-20(11-13-5-2-3-8-22-13)10-12-9-16(21)14-6-4-7-15(18)17(14)19-12/h4,6-7,9,13H,2-3,5,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyYKNXEZHGDYHGTC-ZDUSSCGKSA-N
MW304.36 g/mol
LogP2.67
Rot. Bonds4

About 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one

8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97152797) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
PubChem CID97152797
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(Cc1cc(=O)c2cccc(F)c2[nH]1)C[C@@H]1CCCCO1
InChIInChI=1S/C17H21FN2O2/c1-20(11-13-5-2-3-8-22-13)10-12-9-16(21)14-6-4-7-15(18)17(14)19-12/h4,6-7,9,13H,2-3,5,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyYKNXEZHGDYHGTC-ZDUSSCGKSA-N
XLogP2.67
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
CID 72933930
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
3-fluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 63331273
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147
2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 72845496
2-[[ethyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-4-one
CID 97155530
1-(2-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61431968
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
CID 72844498
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one (CID 97152797) is 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one is CN(Cc1cc(=O)c2cccc(F)c2[nH]1)C[C@@H]1CCCCO1.
What is the InChIKey of 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is YKNXEZHGDYHGTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-20(11-13-5-2-3-8-22-13)10-12-9-16(21)14-6-4-7-15(18)17(14)19-12/h4,6-7,9,13H,2-3,5,8,10-11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 304.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).