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

C17H19FN4O — CID 97149581

IUPAC8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one
SMILESCC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H19FN4O/c1-3-15(11-8-20-22(2)10-11)19-9-12-7-16(23)13-5-4-6-14(18)17(13)21-12/h4-8,10,15,19H,3,9H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeySGJRKBFWWDBVHC-HNNXBMFYSA-N
MW314.36 g/mol
LogP2.64
Rot. Bonds5

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

8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 97149581) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one
PubChem CID97149581
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one
SMILESCC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1
InChIInChI=1S/C17H19FN4O/c1-3-15(11-8-20-22(2)10-11)19-9-12-7-16(23)13-5-4-6-14(18)17(13)21-12/h4-8,10,15,19H,3,9H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeySGJRKBFWWDBVHC-HNNXBMFYSA-N
XLogP2.64
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[[1-(2-ethyl-1,2,4-triazol-3-yl)ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
CID 72930117
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
2-[[(4-chlorophenyl)methyl-ethylamino]methyl]-8-fluoro-1H-quinolin-4-one
CID 20931320
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
CID 72844498
3-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119059594
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one (CID 97149581) is 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one is CC[C@H](NCc1cc(=O)c2cccc(F)c2[nH]1)c1cnn(C)c1.
What is the InChIKey of 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is SGJRKBFWWDBVHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-3-15(11-8-20-22(2)10-11)19-9-12-7-16(23)13-5-4-6-14(18)17(13)21-12/h4-8,10,15,19H,3,9H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 314.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[[(1S)-1-(1-methylpyrazol-4-yl)propyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97149581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).