trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate

C24H24N2O5 — CID 24799443

IUPACtrans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C24H24N2O5/c1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t20-,24-/m0/s1
InChIKeyHIDYNFFNKYESOB-RDPSFJRHSA-N
MW420.47 g/mol
LogP3.45
Rot. Bonds7

About trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate (PubChem CID 24799443) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
PubChem CID24799443
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Nametrans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C24H24N2O5/c1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t20-,24-/m0/s1
InChIKeyHIDYNFFNKYESOB-RDPSFJRHSA-N
XLogP3.45
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.45
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 trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

(1R,2S)-2-N-hydroxy-1-N,1-N-dimethyl-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799781
(1r,2s)-N~2~-Hydroxy-1-{4-[(2-Phenylquinolin-4-Yl)methoxy]benzyl}cyclopropane-1,2-Dicarboxamide
CID 24978491
(1R,2S)-1-({3-fluoro-4-[(2-phenylquinolin-4-yl)methoxy]phenyl}methyl)-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 25138228
methyl (1R,2S)-2-(hydroxycarbamoyl)-1-(4-((2-methylquinolin-4-yl)methoxy)benzyl)cyclopropanecarboxylate
CID 24800833
(1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}-1-N-(propan-2-yl)cyclopropane-1,2-dicarboxamide
CID 24799616
(1R,2R)-2-N-hydroxy-1-N-methyl-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24799617
(1R,2R)-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 24799619
(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24799621
(1S,2R)-1-N-hydroxy-2-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799779
(1R,2S)-2-N-hydroxy-1-N-methyl-1-({4-[(2-methylquinolin-4-yl)methoxy]phenyl}methyl)cyclopropane-1,2-dicarboxamide
CID 24799780
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1-carboxylate
CID 24800654
(1R,2R)-1-N-hydroxy-2-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1,2-dicarboxamide
CID 24800829

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate (CID 24799443) is trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate is CCOC(=O)[C@]1(c2cccc(OCc3cc(C)nc4ccccc34)c2)C[C@H]1C(=O)NO.
What is the InChIKey of trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
The InChIKey is HIDYNFFNKYESOB-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-3-30-23(28)24(13-20(24)22(27)26-29)17-7-6-8-18(12-17)31-14-16-11-15(2)25-21-10-5-4-9-19(16)21/h4-12,20,29H,3,13-14H2,1-2H3,(H,26,27)/t20-,24-/m0/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 24799443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).