N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide

C20H19N3O4 — CID 51116996

IUPACN-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide
SMILESO=C(NCC(O)COc1ccccc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19N3O4/c24-15(13-27-16-8-2-1-3-9-16)12-22-19(25)20(26)23-17-10-4-6-14-7-5-11-21-18(14)17/h1-11,15,24H,12-13H2,(H,22,25)(H,23,26)
InChIKeyYFNBXXFIDOHVKE-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.73
Rot. Bonds6

About N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide

N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide (PubChem CID 51116996) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide
PubChem CID51116996
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide
SMILESO=C(NCC(O)COc1ccccc1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H19N3O4/c24-15(13-27-16-8-2-1-3-9-16)12-22-19(25)20(26)23-17-10-4-6-14-7-5-11-21-18(14)17/h1-11,15,24H,12-13H2,(H,22,25)(H,23,26)
InChIKeyYFNBXXFIDOHVKE-UHFFFAOYSA-N
XLogP1.73
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
4-(2-methylpropoxy)-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3413921
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-quinolin-8-yloxamide
CID 108506300
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide (CID 51116996) is N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide is O=C(NCC(O)COc1ccccc1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide?
The InChIKey is YFNBXXFIDOHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c24-15(13-27-16-8-2-1-3-9-16)12-22-19(25)20(26)23-17-10-4-6-14-7-5-11-21-18(14)17/h1-11,15,24H,12-13H2,(H,22,25)(H,23,26).
What are the key properties of N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide?
N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide has a molecular weight of 365.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 51116996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).