7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one

C17H23FN2O3 — CID 167942598

IUPAC7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one
SMILESCC(C)OCC(CO)N(C)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H23FN2O3/c1-11(2)23-10-15(9-21)20(3)8-13-6-12-4-5-14(18)7-16(12)19-17(13)22/h4-7,11,15,21H,8-10H2,1-3H3,(H,19,22)
InChIKeyHLWVDSFTCBYAFG-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.88
Rot. Bonds7

About 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one

7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one (PubChem CID 167942598) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one
PubChem CID167942598
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one
SMILESCC(C)OCC(CO)N(C)Cc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C17H23FN2O3/c1-11(2)23-10-15(9-21)20(3)8-13-6-12-4-5-14(18)7-16(12)19-17(13)22/h4-7,11,15,21H,8-10H2,1-3H3,(H,19,22)
InChIKeyHLWVDSFTCBYAFG-UHFFFAOYSA-N
XLogP1.88
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110422559
3-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 132948104
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893
3-[[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]-1H-quinolin-2-one
CID 111122564
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
4-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-N-propan-2-ylpyridine-2-carboxamide
CID 56907270
3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
CID 84620651

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one (CID 167942598) is 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one is CC(C)OCC(CO)N(C)Cc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is HLWVDSFTCBYAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-11(2)23-10-15(9-21)20(3)8-13-6-12-4-5-14(18)7-16(12)19-17(13)22/h4-7,11,15,21H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 322.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[(1-hydroxy-3-propan-2-yloxypropan-2-yl)-methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167942598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).