trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

C28H31N3O4 — CID 24799621

IUPACtrans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NC4CCCCC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C28H31N3O4/c1-18-14-19(23-12-5-6-13-25(23)29-18)17-35-22-11-7-8-20(15-22)28(16-24(28)26(32)31-34)27(33)30-21-9-3-2-4-10-21/h5-8,11-15,21,24,34H,2-4,9-10,16-17H2,1H3,(H,30,33)(H,31,32)/t24-,28-/m0/s1
InChIKeyZXMMRYGLIUZGFD-CUBQBAPOSA-N
MW473.57 g/mol
LogP4.33
Rot. Bonds7

About trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide

trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24799621) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID24799621
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Nametrans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NC4CCCCC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C28H31N3O4/c1-18-14-19(23-12-5-6-13-25(23)29-18)17-35-22-11-7-8-20(15-22)28(16-24(28)26(32)31-34)27(33)30-21-9-3-2-4-10-21/h5-8,11-15,21,24,34H,2-4,9-10,16-17H2,1H3,(H,30,33)(H,31,32)/t24-,28-/m0/s1
InChIKeyZXMMRYGLIUZGFD-CUBQBAPOSA-N
XLogP4.33
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.33
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 trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (CID 24799621) is trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(COc2cccc([C@@]3(C(=O)NC4CCCCC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is ZXMMRYGLIUZGFD-CUBQBAPOSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-18-14-19(23-12-5-6-13-25(23)29-18)17-35-22-11-7-8-20(15-22)28(16-24(28)26(32)31-34)27(33)30-21-9-3-2-4-10-21/h5-8,11-15,21,24,34H,2-4,9-10,16-17H2,1H3,(H,30,33)(H,31,32)/t24-,28-/m0/s1.
What are the key properties of trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 473.57 g/mol, XLogP of 4.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N-cyclohexyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).