N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide

C14H16N2O2 — CID 82724716

IUPACN-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-16-13(17)12-9-8-10-6-4-5-7-11(10)15-12/h4-9H,1-3H3,(H,16,17)
InChIKeyOWZJALLNNPMWHK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.69
Rot. Bonds2

About N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide

N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide (PubChem CID 82724716) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
PubChem CID82724716
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
SMILESCC(C)(C)ONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-16-13(17)12-9-8-10-6-4-5-7-11(10)15-12/h4-9H,1-3H3,(H,16,17)
InChIKeyOWZJALLNNPMWHK-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
2-oxo-2-quinolin-2-ylacetohydrazide
CID 20669730
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(aminomethyl)-2-ethylbutyl]quinoline-2-carboxamide
CID 106250441
N-[3-(hydroxymethyl)pentan-3-yl]quinoline-2-carboxamide
CID 62517417
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
quinoline-2-carboxamide;hydrobromide
CID 141009871

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide (CID 82724716) is N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide is CC(C)(C)ONC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide?
The InChIKey is OWZJALLNNPMWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)18-16-13(17)12-9-8-10-6-4-5-7-11(10)15-12/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide?
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide is sourced from PubChem (CID 82724716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).