N-(2-methylpropyl)-N'-quinolin-8-yloxamide

C15H17N3O2 — CID 47225581

IUPACN-(2-methylpropyl)-N'-quinolin-8-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H17N3O2/c1-10(2)9-17-14(19)15(20)18-12-7-3-5-11-6-4-8-16-13(11)12/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYDYCWGWVSZWLAW-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.95
Rot. Bonds3

About N-(2-methylpropyl)-N'-quinolin-8-yloxamide

N-(2-methylpropyl)-N'-quinolin-8-yloxamide (PubChem CID 47225581) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-quinolin-8-yloxamide
PubChem CID47225581
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-methylpropyl)-N'-quinolin-8-yloxamide
SMILESCC(C)CNC(=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C15H17N3O2/c1-10(2)9-17-14(19)15(20)18-12-7-3-5-11-6-4-8-16-13(11)12/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYDYCWGWVSZWLAW-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
N-(2-hydroxy-3-phenoxypropyl)-N'-quinolin-8-yloxamide
CID 51116996
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide
CID 44996585
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088
N-(2-methylpropyl)-2-[(2-quinolin-8-ylacetyl)amino]benzamide
CID 51321090
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(2-methylpropyl)-N'-quinolin-8-yloxamide (CID 47225581) is N-(2-methylpropyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-quinolin-8-yloxamide is CC(C)CNC(=O)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-(2-methylpropyl)-N'-quinolin-8-yloxamide?
The InChIKey is YDYCWGWVSZWLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)9-17-14(19)15(20)18-12-7-3-5-11-6-4-8-16-13(11)12/h3-8,10H,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-methylpropyl)-N'-quinolin-8-yloxamide?
N-(2-methylpropyl)-N'-quinolin-8-yloxamide has a molecular weight of 271.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 47225581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).