3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one

C17H16N2O2 — CID 82712733

IUPAC3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNOCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17-15(10-14-8-4-5-9-16(14)19-17)11-18-21-12-13-6-2-1-3-7-13/h1-10,18H,11-12H2,(H,19,20)
InChIKeyFNRWLOSCBLRACF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.75
Rot. Bonds5

About 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one

3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one (PubChem CID 82712733) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
PubChem CID82712733
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNOCc1ccccc1
InChIInChI=1S/C17H16N2O2/c20-17-15(10-14-8-4-5-9-16(14)19-17)11-18-21-12-13-6-2-1-3-7-13/h1-10,18H,11-12H2,(H,19,20)
InChIKeyFNRWLOSCBLRACF-UHFFFAOYSA-N
XLogP2.75
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
3-[(2-oxo-1H-quinolin-3-yl)methylamino]-3-phenylpropanoic acid
CID 166226957
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
benzyl N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]carbamate
CID 110325114
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylethanesulfonamide
CID 110325696
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[[3-[[(R)-methylsulfinyl]methyl]anilino]methyl]-1H-quinolin-2-one
CID 97236761

Frequently Asked Questions

What is the IUPAC name of 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one (CID 82712733) is 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNOCc1ccccc1.
What is the InChIKey of 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one?
The InChIKey is FNRWLOSCBLRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-17-15(10-14-8-4-5-9-16(14)19-17)11-18-21-12-13-6-2-1-3-7-13/h1-10,18H,11-12H2,(H,19,20).
What are the key properties of 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one?
3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(phenylmethoxyamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 82712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).