N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide

C20H19N3O5 — CID 11417658

IUPACN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCCOc2ccc(C(=O)NO)cc2)nc2ccccc12
InChIInChI=1S/C20H19N3O5/c1-27-18-12-17(22-16-5-3-2-4-15(16)18)20(25)21-10-11-28-14-8-6-13(7-9-14)19(24)23-26/h2-9,12,26H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyONVRDFZZIJYYPT-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.17
Rot. Bonds7

About N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide

N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide (PubChem CID 11417658) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
PubChem CID11417658
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC NameN-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCCOc2ccc(C(=O)NO)cc2)nc2ccccc12
InChIInChI=1S/C20H19N3O5/c1-27-18-12-17(22-16-5-3-2-4-15(16)18)20(25)21-10-11-28-14-8-6-13(7-9-14)19(24)23-26/h2-9,12,26H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKeyONVRDFZZIJYYPT-UHFFFAOYSA-N
XLogP2.17
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxynaphthalene-2-carboxamide
CID 11164885
4-[2-(dimethylamino)ethoxy]-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]quinoline-2-carboxamide
CID 87641535
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-2-methoxynaphthalene-1-carboxamide
CID 87641341
4-methoxy-N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]quinoline-2-carboxamide
CID 22184970
4-methoxy-N-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline-2-carboxamide
CID 71567335
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide (CID 11417658) is N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide is COc1cc(C(=O)NCCOc2ccc(C(=O)NO)cc2)nc2ccccc12.
What is the InChIKey of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide?
The InChIKey is ONVRDFZZIJYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-27-18-12-17(22-16-5-3-2-4-15(16)18)20(25)21-10-11-28-14-8-6-13(7-9-14)19(24)23-26/h2-9,12,26H,10-11H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide?
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 11417658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).