methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate

C30H30N2O5 — CID 20748815

IUPACmethyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
SMILESCOC(=O)C(C)(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(C)C(=O)NO
InChIInChI=1S/C30H30N2O5/c1-20(28(33)32-35)30(2,29(34)36-3)18-21-13-15-24(16-14-21)37-19-23-17-27(22-9-5-4-6-10-22)31-26-12-8-7-11-25(23)26/h4-17,20,35H,18-19H2,1-3H3,(H,32,33)
InChIKeyUZQCLGGJNKOPRD-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.34
Rot. Bonds9

About methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate

methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate (PubChem CID 20748815) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate.

Molecular Properties

Compound Namemethyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
PubChem CID20748815
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Namemethyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate
SMILESCOC(=O)C(C)(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(C)C(=O)NO
InChIInChI=1S/C30H30N2O5/c1-20(28(33)32-35)30(2,29(34)36-3)18-21-13-15-24(16-14-21)37-19-23-17-27(22-9-5-4-6-10-22)31-26-12-8-7-11-25(23)26/h4-17,20,35H,18-19H2,1-3H3,(H,32,33)
InChIKeyUZQCLGGJNKOPRD-UHFFFAOYSA-N
XLogP5.34
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
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'}

Analyze methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]propanoate
CID 58944756
2-methyl-5-[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]pentanal
CID 142258913
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
trans-(1S,2S)-N-hydroxy-2-[(E)-3-[methyl(3-methylpentyl)amino]-3-oxoprop-1-enyl]-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 142258685
N,3-dihydroxy-2-[(4-methoxyphenyl)methyl]-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]propanamide
CID 10367542
2-[[2-amino-2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-2-methylpropanamide
CID 22616989
2-[2-aminoethyl-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]amino]-N-hydroxy-4-methylpentanamide
CID 142846836
2-[3-amino-3-[4-[[2-(4-methylsulfanylphenyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
CID 11227054
ethyl formate;N-[1-[2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropyl]ethenyl]hydroxylamine
CID 142258935
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
CID 44581112
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775

Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate?
The IUPAC name of methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate (CID 20748815) is methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate.
What is the SMILES notation for methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate?
The canonical SMILES for methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate is COC(=O)C(C)(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(C)C(=O)NO.
What is the InChIKey of methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate?
The InChIKey is UZQCLGGJNKOPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-20(28(33)32-35)30(2,29(34)36-3)18-21-13-15-24(16-14-21)37-19-23-17-27(22-9-5-4-6-10-22)31-26-12-8-7-11-25(23)26/h4-17,20,35H,18-19H2,1-3H3,(H,32,33).
What are the key properties of methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate?
methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate has a molecular weight of 498.58 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxyamino)-2,3-dimethyl-4-oxo-2-[[4-[(2-phenylquinolin-4-yl)methoxy]phenyl]methyl]butanoate is sourced from PubChem (CID 20748815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).