8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one

C18H23FN2O2 — CID 72933930

IUPAC8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CNCCCCC2CCCO2)[nH]c2c(F)cccc12
InChIInChI=1S/C18H23FN2O2/c19-16-8-3-7-15-17(22)11-13(21-18(15)16)12-20-9-2-1-5-14-6-4-10-23-14/h3,7-8,11,14,20H,1-2,4-6,9-10,12H2,(H,21,22)
InChIKeyDKGXZQUCCHFKEC-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.11
Rot. Bonds7

About 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one

8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one (PubChem CID 72933930) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
PubChem CID72933930
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CNCCCCC2CCCO2)[nH]c2c(F)cccc12
InChIInChI=1S/C18H23FN2O2/c19-16-8-3-7-15-17(22)11-13(21-18(15)16)12-20-9-2-1-5-14-6-4-10-23-14/h3,7-8,11,14,20H,1-2,4-6,9-10,12H2,(H,21,22)
InChIKeyDKGXZQUCCHFKEC-UHFFFAOYSA-N
XLogP3.11
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-fluoro-2-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]-1H-quinolin-4-one
CID 97152797
8-fluoro-4-oxo-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-quinoline-2-carboxamide
CID 124906961
6-methyl-2-[[2-[(2S)-oxan-2-yl]ethylamino]methyl]-1H-quinolin-4-one
CID 97150785
2-[[methyl-[3-[(2R)-oxolan-2-yl]propyl]amino]methyl]-1H-quinolin-4-one
CID 99953838
8-fluoro-2-propyl-1H-quinolin-4-one
CID 39346190
3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
2-(oxolan-2-yl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62339579
N-[(2,5-difluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 54893285
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
2-fluoro-4-[[2-(oxolan-2-yl)ethylamino]methyl]aniline
CID 55159271
1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one (CID 72933930) is 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one is O=c1cc(CNCCCCC2CCCO2)[nH]c2c(F)cccc12.
What is the InChIKey of 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one?
The InChIKey is DKGXZQUCCHFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-16-8-3-7-15-17(22)11-13(21-18(15)16)12-20-9-2-1-5-14-6-4-10-23-14/h3,7-8,11,14,20H,1-2,4-6,9-10,12H2,(H,21,22).
What are the key properties of 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one has a molecular weight of 318.39 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[4-(oxolan-2-yl)butylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72933930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).