7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

C21H24FN3O3 — CID 98710583

IUPAC7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1CN1CCN(Cc2ccco2)[C@H](CCO)C1
InChIInChI=1S/C21H24FN3O3/c22-17-4-3-15-10-16(21(27)23-20(15)11-17)12-24-6-7-25(18(13-24)5-8-26)14-19-2-1-9-28-19/h1-4,9-11,18,26H,5-8,12-14H2,(H,23,27)/t18-/m1/s1
InChIKeyHFVLJISPOBGSBT-GOSISDBHSA-N
MW385.44 g/mol
LogP2.33
Rot. Bonds6

About 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one

7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 98710583) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID98710583
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(F)ccc2cc1CN1CCN(Cc2ccco2)[C@H](CCO)C1
InChIInChI=1S/C21H24FN3O3/c22-17-4-3-15-10-16(21(27)23-20(15)11-17)12-24-6-7-25(18(13-24)5-8-26)14-19-2-1-9-28-19/h1-4,9-11,18,26H,5-8,12-14H2,(H,23,27)/t18-/m1/s1
InChIKeyHFVLJISPOBGSBT-GOSISDBHSA-N
XLogP2.33
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

7-fluoro-3-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 56714046
2-[(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98575645
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
2-chloro-4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45182941
3-[[(3R)-3-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95502220
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 163417678
2-[1-(furan-2-ylmethyl)-4-(5-methylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 72870710
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45210132
(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97435879
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 98710583) is 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2cc(F)ccc2cc1CN1CCN(Cc2ccco2)[C@H](CCO)C1.
What is the InChIKey of 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is HFVLJISPOBGSBT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-4-3-15-10-16(21(27)23-20(15)11-17)12-24-6-7-25(18(13-24)5-8-26)14-19-2-1-9-28-19/h1-4,9-11,18,26H,5-8,12-14H2,(H,23,27)/t18-/m1/s1.
What are the key properties of 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 385.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[(3R)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 98710583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).