N-phenylmethoxyquinoline-2-carboxamide

C17H14N2O2 — CID 9227229

IUPACN-phenylmethoxyquinoline-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H14N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)18-16/h1-11H,12H2,(H,19,20)
InChIKeyFZLGMIWISPHAKJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.10
Rot. Bonds4

About N-phenylmethoxyquinoline-2-carboxamide

N-phenylmethoxyquinoline-2-carboxamide (PubChem CID 9227229) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-phenylmethoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-phenylmethoxyquinoline-2-carboxamide
PubChem CID9227229
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-phenylmethoxyquinoline-2-carboxamide
SMILESO=C(NOCc1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H14N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)18-16/h1-11H,12H2,(H,19,20)
InChIKeyFZLGMIWISPHAKJ-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.10
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-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
5-phenyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 4775508
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] quinoline-2-carboxylate
CID 3355066
copper;quinoline-2-carboxylic acid
CID 68537473

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyquinoline-2-carboxamide?
The IUPAC name of N-phenylmethoxyquinoline-2-carboxamide (CID 9227229) is N-phenylmethoxyquinoline-2-carboxamide.
What is the SMILES notation for N-phenylmethoxyquinoline-2-carboxamide?
The canonical SMILES for N-phenylmethoxyquinoline-2-carboxamide is O=C(NOCc1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of N-phenylmethoxyquinoline-2-carboxamide?
The InChIKey is FZLGMIWISPHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-17(19-21-12-13-6-2-1-3-7-13)16-11-10-14-8-4-5-9-15(14)18-16/h1-11H,12H2,(H,19,20).
What are the key properties of N-phenylmethoxyquinoline-2-carboxamide?
N-phenylmethoxyquinoline-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyquinoline-2-carboxamide is sourced from PubChem (CID 9227229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).