cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

C24H24N2O5 — CID 24800833

IUPACcis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1
InChIKeyHJWMYFBKJRVWJY-YKSBVNFPSA-N
MW420.47 g/mol
LogP3.35
Rot. Bonds7

About cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 24800833) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID24800833
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Namecis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1
InChIKeyHJWMYFBKJRVWJY-YKSBVNFPSA-N
XLogP3.35
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 ≤ 53.35
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'}

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Related Compounds

(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide
CID 6914621
(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
Wy 45911
CID 129110
ethyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[(2-methylquinolin-4-yl)methoxy]phenyl}cyclopropane-1-carboxylate
CID 24799443
(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

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (CID 24800833) is cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is COC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is HJWMYFBKJRVWJY-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-11-17(19-5-3-4-6-21(19)25-15)14-31-18-9-7-16(8-10-18)12-24(23(28)30-2)13-20(24)22(27)26-29/h3-11,20,29H,12-14H2,1-2H3,(H,26,27)/t20-,24+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 24800833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).