trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide

C27H30N4O4 — CID 24799777

IUPACtrans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)N4CCN(C)CC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C27H30N4O4/c1-18-14-19(22-8-3-4-9-24(22)28-18)17-35-21-7-5-6-20(15-21)27(16-23(27)25(32)29-34)26(33)31-12-10-30(2)11-13-31/h3-9,14-15,23,34H,10-13,16-17H2,1-2H3,(H,29,32)/t23-,27-/m0/s1
InChIKeyXACGDVHRXILWLO-HOFKKMOUSA-N
MW474.56 g/mol
LogP2.66
Rot. Bonds6

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

trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 24799777) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID24799777
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Nametrans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide
SMILESCc1cc(COc2cccc([C@@]3(C(=O)N4CCN(C)CC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C27H30N4O4/c1-18-14-19(22-8-3-4-9-24(22)28-18)17-35-21-7-5-6-20(15-21)27(16-23(27)25(32)29-34)26(33)31-12-10-30(2)11-13-31/h3-9,14-15,23,34H,10-13,16-17H2,1-2H3,(H,29,32)/t23-,27-/m0/s1
InChIKeyXACGDVHRXILWLO-HOFKKMOUSA-N
XLogP2.66
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide (CID 24799777) is trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide is Cc1cc(COc2cccc([C@@]3(C(=O)N4CCN(C)CC4)C[C@H]3C(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is XACGDVHRXILWLO-HOFKKMOUSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-18-14-19(22-8-3-4-9-24(22)28-18)17-35-21-7-5-6-20(15-21)27(16-23(27)25(32)29-34)26(33)31-12-10-30(2)11-13-31/h3-9,14-15,23,34H,10-13,16-17H2,1-2H3,(H,29,32)/t23-,27-/m0/s1.
What are the key properties of trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-hydroxy-2-(4-methylpiperazine-1-carbonyl)-2-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 24799777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).