N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H26FN5O3 — CID 10576057

IUPACN-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccnc5ccccc45)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3/c1-17(32)28-15-19-16-31(25(33)34-19)18-6-7-24(21(26)14-18)30-12-10-29(11-13-30)23-8-9-27-22-5-3-2-4-20(22)23/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)/t19-/m0/s1
InChIKeyRDYXBZLKXFKLMF-IBGZPJMESA-N
MW463.51 g/mol
LogP3.16
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10576057) has the molecular formula C25H26FN5O3 and a molecular weight of 463.51 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10576057
Molecular FormulaC25H26FN5O3
Molecular Weight463.51 g/mol
Exact Mass463.20
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccnc5ccccc45)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H26FN5O3/c1-17(32)28-15-19-16-31(25(33)34-19)18-6-7-24(21(26)14-18)30-12-10-29(11-13-30)23-8-9-27-22-5-3-2-4-20(22)23/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)/t19-/m0/s1
InChIKeyRDYXBZLKXFKLMF-IBGZPJMESA-N
XLogP3.16
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2-[4-(2-Methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 11304596
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]urea
CID 163286284
ATM Inhibitor-3
CID 163286301
Tert-butyl 4-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 163289553
N-[[(5S)-3-[3-fluoro-4-[4-[(quinolin-4-ylmethylamino)methyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11271956
1-[2-(Dimethylamino)ethyl]-3-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methylphenyl]urea
CID 163286302
N-[3-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286303
tert-butyl N-[1-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoyl]piperidin-4-yl]carbamate
CID 163286336
N-[2-fluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286371
N-[2,3-difluoro-4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 163286391
N-(6-(3-(3-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-8-yl)-3-oxoprop-1-enyl)quinolin-7-yl)acetamide
CID 44405212
3-[2-[(7-Chloro-4-quinolyl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]oxazolidin-2-one
CID 56950682

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10576057) is N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccnc5ccccc45)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RDYXBZLKXFKLMF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26FN5O3/c1-17(32)28-15-19-16-31(25(33)34-19)18-6-7-24(21(26)14-18)30-12-10-29(11-13-30)23-8-9-27-22-5-3-2-4-20(22)23/h2-9,14,19H,10-13,15-16H2,1H3,(H,28,32)/t19-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 463.51 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-quinolin-4-ylpiperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10576057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).