4-(quinolin-8-yloxyamino)oxybenzaldehyde

C16H12N2O3 — CID 139375702

IUPAC4-(quinolin-8-yloxyamino)oxybenzaldehyde
SMILESO=Cc1ccc(ONOc2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O3/c19-11-12-6-8-14(9-7-12)20-18-21-15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H
InChIKeyBHNGBBYJFHUQIK-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.92
Rot. Bonds5

About 4-(quinolin-8-yloxyamino)oxybenzaldehyde

4-(quinolin-8-yloxyamino)oxybenzaldehyde (PubChem CID 139375702) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(quinolin-8-yloxyamino)oxybenzaldehyde.

Molecular Properties

Compound Name4-(quinolin-8-yloxyamino)oxybenzaldehyde
PubChem CID139375702
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-(quinolin-8-yloxyamino)oxybenzaldehyde
SMILESO=Cc1ccc(ONOc2cccc3cccnc23)cc1
InChIInChI=1S/C16H12N2O3/c19-11-12-6-8-14(9-7-12)20-18-21-15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H
InChIKeyBHNGBBYJFHUQIK-UHFFFAOYSA-N
XLogP2.92
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
CID 139375948
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
oxo(quinolin-8-yloxy)borane
CID 54325003
N-methyl-N-quinolin-8-yloxysulfanylmethanamine
CID 142037871
2-N-quinolin-8-yloxybenzene-1,2-diamine
CID 101371878
tri(quinolin-8-yloxy)alumane
CID 16683111
8-[(Dihydroxybismuthino)oxy]quinoline
CID 16684350
3-(quinolin-8-ylmethoxy)benzaldehyde
CID 28775093
4-quinolin-8-yloxybenzoic acid
CID 28825287
8-(chloromethoxy)quinoline
CID 79531226
CID 137322014
CID 137322014
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-yloxyamino)oxybenzaldehyde?
The IUPAC name of 4-(quinolin-8-yloxyamino)oxybenzaldehyde (CID 139375702) is 4-(quinolin-8-yloxyamino)oxybenzaldehyde.
What is the SMILES notation for 4-(quinolin-8-yloxyamino)oxybenzaldehyde?
The canonical SMILES for 4-(quinolin-8-yloxyamino)oxybenzaldehyde is O=Cc1ccc(ONOc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-yloxyamino)oxybenzaldehyde?
The InChIKey is BHNGBBYJFHUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-11-12-6-8-14(9-7-12)20-18-21-15-5-1-3-13-4-2-10-17-16(13)15/h1-11,18H.
What are the key properties of 4-(quinolin-8-yloxyamino)oxybenzaldehyde?
4-(quinolin-8-yloxyamino)oxybenzaldehyde has a molecular weight of 280.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-yloxyamino)oxybenzaldehyde is sourced from PubChem (CID 139375702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).