2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C25H30N4O4 — CID 140702154

IUPAC2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCN(CC)[C@@H](Cc1cc(OCc2cc(C)nc3ccccc23)ccc1C(N)=O)C(=O)NO
InChIInChI=1S/C25H30N4O4/c1-4-29(5-2)23(25(31)28-32)14-17-13-19(10-11-21(17)24(26)30)33-15-18-12-16(3)27-22-9-7-6-8-20(18)22/h6-13,23,32H,4-5,14-15H2,1-3H3,(H2,26,30)(H,28,31)/t23-/m0/s1
InChIKeyYITOTCPIOWMECE-QHCPKHFHSA-N
MW450.54 g/mol
LogP2.98
Rot. Bonds10

About 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 140702154) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID140702154
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCCN(CC)[C@@H](Cc1cc(OCc2cc(C)nc3ccccc23)ccc1C(N)=O)C(=O)NO
InChIInChI=1S/C25H30N4O4/c1-4-29(5-2)23(25(31)28-32)14-17-13-19(10-11-21(17)24(26)30)33-15-18-12-16(3)27-22-9-7-6-8-20(18)22/h6-13,23,32H,4-5,14-15H2,1-3H3,(H2,26,30)(H,28,31)/t23-/m0/s1
InChIKeyYITOTCPIOWMECE-QHCPKHFHSA-N
XLogP2.98
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2S)-3-(hydroxyamino)-3-oxo-2-thiomorpholin-4-ylpropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140702150
2-[(2R)-3-(hydroxyamino)-2-(4-methylsulfonylpiperazin-1-yl)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 140587277
2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
CID 142846836
N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 10367542
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989
N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
CID 10456088
2-[2-benzyl-3-[2-(hydroxyamino)-2-oxoethyl]-5,5-dimethylpyrrolidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 173218476
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
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 140702154) is 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is CCN(CC)[C@@H](Cc1cc(OCc2cc(C)nc3ccccc23)ccc1C(N)=O)C(=O)NO.
What is the InChIKey of 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is YITOTCPIOWMECE-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-4-29(5-2)23(25(31)28-32)14-17-13-19(10-11-21(17)24(26)30)33-15-18-12-16(3)27-22-9-7-6-8-20(18)22/h6-13,23,32H,4-5,14-15H2,1-3H3,(H2,26,30)(H,28,31)/t23-/m0/s1.
What are the key properties of 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 450.54 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(diethylamino)-3-(hydroxyamino)-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 140702154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).