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

C29H27N3O4 — CID 24801012

IUPACtrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NCc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C29H27N3O4/c1-19-14-21(24-12-5-6-13-26(24)31-19)18-36-23-11-7-10-22(15-23)29(16-25(29)27(33)32-35)28(34)30-17-20-8-3-2-4-9-20/h2-15,25,35H,16-18H2,1H3,(H,30,34)(H,32,33)/t25-,29-/m0/s1
InChIKeyMNWRESBWEYCTLP-SVEHJYQDSA-N
MW481.55 g/mol
LogP4.20
Rot. Bonds8

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

trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24801012) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID24801012
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Nametrans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)NCc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C29H27N3O4/c1-19-14-21(24-12-5-6-13-26(24)31-19)18-36-23-11-7-10-22(15-23)29(16-25(29)27(33)32-35)28(34)30-17-20-8-3-2-4-9-20/h2-15,25,35H,16-18H2,1H3,(H,30,34)(H,32,33)/t25-,29-/m0/s1
InChIKeyMNWRESBWEYCTLP-SVEHJYQDSA-N
XLogP4.20
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.20
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-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide (CID 24801012) is trans-(1R,2R)-1-N-benzyl-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-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is Cc1cc(COc2cccc([C@@]3(C(=O)NCc4ccccc4)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is MNWRESBWEYCTLP-SVEHJYQDSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-19-14-21(24-12-5-6-13-26(24)31-19)18-36-23-11-7-10-22(15-23)29(16-25(29)27(33)32-35)28(34)30-17-20-8-3-2-4-9-20/h2-15,25,35H,16-18H2,1H3,(H,30,34)(H,32,33)/t25-,29-/m0/s1.
What are the key properties of trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide?
trans-(1R,2R)-1-N-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.20, 8 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-benzyl-2-N-hydroxy-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24801012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).