cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

C24H25N3O4 — CID 24799780

IUPACcis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H25N3O4/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-31-18-9-7-16(8-10-18)12-24(23(29)25-2)13-20(24)22(28)27-30/h3-11,20,30H,12-14H2,1-2H3,(H,25,29)(H,27,28)/t20-,24+/m1/s1
InChIKeyDUKCODHLTGRCTA-YKSBVNFPSA-N
MW419.48 g/mol
LogP2.92
Rot. Bonds7

About cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24799780) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
PubChem CID24799780
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Namecis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C24H25N3O4/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-31-18-9-7-16(8-10-18)12-24(23(29)25-2)13-20(24)22(28)27-30/h3-11,20,30H,12-14H2,1-2H3,(H,25,29)(H,27,28)/t20-,24+/m1/s1
InChIKeyDUKCODHLTGRCTA-YKSBVNFPSA-N
XLogP2.92
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide (CID 24799780) is cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is CNC(=O)[C@@]1(Cc2ccc(OCc3cc(C)nc4ccccc34)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is DUKCODHLTGRCTA-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-11-17(19-5-3-4-6-21(19)26-15)14-31-18-9-7-16(8-10-18)12-24(23(29)25-2)13-20(24)22(28)27-30/h3-11,20,30H,12-14H2,1-2H3,(H,25,29)(H,27,28)/t20-,24+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).