3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

C26H29FN4O4 — CID 10140659

IUPAC3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc([C@@H](O)CN3CCN(CC4CN(c5cccc(F)c5)C(=O)O4)CC3)c2c1
InChIInChI=1S/C26H29FN4O4/c1-34-20-5-6-24-23(14-20)22(7-8-28-24)25(32)17-30-11-9-29(10-12-30)15-21-16-31(26(33)35-21)19-4-2-3-18(27)13-19/h2-8,13-14,21,25,32H,9-12,15-17H2,1H3/t21?,25-/m0/s1
InChIKeyPIZRWPZXGSSENJ-QBGQUKIHSA-N
MW480.54 g/mol
LogP3.06
Rot. Bonds7

About 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 10140659) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID10140659
Molecular FormulaC26H29FN4O4
Molecular Weight480.54 g/mol
Exact Mass480.22
IUPAC Name3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc([C@@H](O)CN3CCN(CC4CN(c5cccc(F)c5)C(=O)O4)CC3)c2c1
InChIInChI=1S/C26H29FN4O4/c1-34-20-5-6-24-23(14-20)22(7-8-28-24)25(32)17-30-11-9-29(10-12-30)15-21-16-31(26(33)35-21)19-4-2-3-18(27)13-19/h2-8,13-14,21,25,32H,9-12,15-17H2,1H3/t21?,25-/m0/s1
InChIKeyPIZRWPZXGSSENJ-QBGQUKIHSA-N
XLogP3.06
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
(5R)-3-(4H-1,4-benzoxazin-6-yl)-5-[[4-hydroxy-4-(6-methoxyquinolin-4-yl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 150982931
(5R)-5-(aminomethyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 42281783
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
(3R,4R)-1-[3-(3-fluorophenyl)prop-2-ynyl]-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid
CID 21347757
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one
CID 44535820
(3R,4R)-1-[2-(3-fluorophenyl)sulfanylethyl]-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid;dihydrochloride
CID 70175061
(3R,4R)-1-[3-(3-fluorophenyl)prop-2-ynyl]-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid;dihydrochloride
CID 70174523
8-hydroxy-3-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2H-isoquinolin-1-one;hydrochloride
CID 44535819
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 10140659) is 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc([C@@H](O)CN3CCN(CC4CN(c5cccc(F)c5)C(=O)O4)CC3)c2c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is PIZRWPZXGSSENJ-QBGQUKIHSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-34-20-5-6-24-23(14-20)22(7-8-28-24)25(32)17-30-11-9-29(10-12-30)15-21-16-31(26(33)35-21)19-4-2-3-18(27)13-19/h2-8,13-14,21,25,32H,9-12,15-17H2,1H3/t21?,25-/m0/s1.
What are the key properties of 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 480.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-[[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10140659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).