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

C25H27N3O4 — CID 24799616

IUPACtrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4/c1-15(2)26-24(30)25(13-21(25)23(29)28-31)18-7-6-8-19(12-18)32-14-17-11-16(3)27-22-10-5-4-9-20(17)22/h4-12,15,21,31H,13-14H2,1-3H3,(H,26,30)(H,28,29)/t21-,25-/m0/s1
InChIKeyCWUUNJTYLPBTOO-OFVILXPXSA-N
MW433.51 g/mol
LogP3.41
Rot. Bonds7

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

trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (PubChem CID 24799616) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
PubChem CID24799616
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Nametrans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C25H27N3O4/c1-15(2)26-24(30)25(13-21(25)23(29)28-31)18-7-6-8-19(12-18)32-14-17-11-16(3)27-22-10-5-4-9-20(17)22/h4-12,15,21,31H,13-14H2,1-3H3,(H,26,30)(H,28,29)/t21-,25-/m0/s1
InChIKeyCWUUNJTYLPBTOO-OFVILXPXSA-N
XLogP3.41
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.41
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)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide (CID 24799616) is trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is Cc1cc(COc2cccc([C@@]3(C(=O)NC(C)C)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is CWUUNJTYLPBTOO-OFVILXPXSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-15(2)26-24(30)25(13-21(25)23(29)28-31)18-7-6-8-19(12-18)32-14-17-11-16(3)27-22-10-5-4-9-20(17)22/h4-12,15,21,31H,13-14H2,1-3H3,(H,26,30)(H,28,29)/t21-,25-/m0/s1.
What are the key properties of trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).