2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C25H28N4O4S — CID 140702150

IUPAC2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(N)=O)c(C[C@@H](C(=O)NO)N3CCSCC3)c2)c2ccccc2n1
InChIInChI=1S/C25H28N4O4S/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-6-7-21(24(26)30)17(13-19)14-23(25(31)28-32)29-8-10-34-11-9-29/h2-7,12-13,23,32H,8-11,14-15H2,1H3,(H2,26,30)(H,28,31)/t23-/m0/s1
InChIKeyCHABNNPBURIBJE-QHCPKHFHSA-N
MW480.59 g/mol
LogP2.69
Rot. Bonds8

About 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 140702150) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID140702150
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(N)=O)c(C[C@@H](C(=O)NO)N3CCSCC3)c2)c2ccccc2n1
InChIInChI=1S/C25H28N4O4S/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-6-7-21(24(26)30)17(13-19)14-23(25(31)28-32)29-8-10-34-11-9-29/h2-7,12-13,23,32H,8-11,14-15H2,1H3,(H2,26,30)(H,28,31)/t23-/m0/s1
InChIKeyCHABNNPBURIBJE-QHCPKHFHSA-N
XLogP2.69
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-3-(hydroxyamino)-2-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140587277
2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702154
N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]-2-pyrrolidin-1-ylpropanamide
CID 75306134
2-(azepan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75306206
2-[(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-3-(hydroxyamino)-3-oxopropyl]-4-[(5-methyl-1H-pyrazol-4-yl)methoxy]benzamide
CID 140587285
2-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 140702146
N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 51030462
4-[(2S)-1-(hydroxyamino)-1-oxo-3-(sulfonylamino)propan-2-yl]piperazine-1-carboxylic acid;2-methyl-4-(phenoxymethyl)quinoline
CID 87185278
2-(1,4-diazocan-1-yl)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75304025
N-hydroxy-4-methyl-2-[3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]pentanamide
CID 118559738
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]propanamide
CID 75303849

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 140702150) is 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(N)=O)c(C[C@@H](C(=O)NO)N3CCSCC3)c2)c2ccccc2n1.
What is the InChIKey of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is CHABNNPBURIBJE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-16-12-18(20-4-2-3-5-22(20)27-16)15-33-19-6-7-21(24(26)30)17(13-19)14-23(25(31)28-32)29-8-10-34-11-9-29/h2-7,12-13,23,32H,8-11,14-15H2,1H3,(H2,26,30)(H,28,31)/t23-/m0/s1.
What are the key properties of 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 480.59 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 140702150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).