4-nitro-3-quinolin-3-yloxybenzaldehyde

C16H10N2O4 — CID 164741302

IUPAC4-nitro-3-quinolin-3-yloxybenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])c(Oc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H10N2O4/c19-10-11-5-6-15(18(20)21)16(7-11)22-13-8-12-3-1-2-4-14(12)17-9-13/h1-10H
InChIKeyZQKYDUQDYLBIHD-UHFFFAOYSA-N
MW294.27 g/mol
LogP3.75
Rot. Bonds4

About 4-nitro-3-quinolin-3-yloxybenzaldehyde

4-nitro-3-quinolin-3-yloxybenzaldehyde (PubChem CID 164741302) has the molecular formula C16H10N2O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is 4-nitro-3-quinolin-3-yloxybenzaldehyde.

Molecular Properties

Compound Name4-nitro-3-quinolin-3-yloxybenzaldehyde
PubChem CID164741302
Molecular FormulaC16H10N2O4
Molecular Weight294.27 g/mol
Exact Mass294.06
IUPAC Name4-nitro-3-quinolin-3-yloxybenzaldehyde
SMILESO=Cc1ccc([N+](=O)[O-])c(Oc2cnc3ccccc3c2)c1
InChIInChI=1S/C16H10N2O4/c19-10-11-5-6-15(18(20)21)16(7-11)22-13-8-12-3-1-2-4-14(12)17-9-13/h1-10H
InChIKeyZQKYDUQDYLBIHD-UHFFFAOYSA-N
XLogP3.75
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitro-3-(4-nitrophenoxy)benzaldehyde
CID 133447393
3-(3-fluoro-2-nitrophenoxy)quinoline
CID 107387070
3-(5-chloro-2-nitrophenoxy)benzaldehyde
CID 63944247
4-nitro-3-(8-nitroisoquinolin-5-yl)oxybenzaldehyde
CID 133279580
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-methyl-2-quinolin-3-yloxyimidazole-4-carbaldehyde
CID 155416344
4-nitro-3-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]benzaldehyde
CID 133279574
3-nitro-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 55108248
3-(3-hydroxypropoxy)-4-nitrobenzaldehyde
CID 62115712
3-[(3-methylphenyl)methoxy]-4-nitrobenzaldehyde
CID 62116760
3-[(3-methyl-2-pyridinyl)methoxy]-4-nitrobenzaldehyde
CID 115886860
3-hexoxy-4-nitrobenzaldehyde
CID 62115715

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-quinolin-3-yloxybenzaldehyde?
The IUPAC name of 4-nitro-3-quinolin-3-yloxybenzaldehyde (CID 164741302) is 4-nitro-3-quinolin-3-yloxybenzaldehyde.
What is the SMILES notation for 4-nitro-3-quinolin-3-yloxybenzaldehyde?
The canonical SMILES for 4-nitro-3-quinolin-3-yloxybenzaldehyde is O=Cc1ccc([N+](=O)[O-])c(Oc2cnc3ccccc3c2)c1.
What is the InChIKey of 4-nitro-3-quinolin-3-yloxybenzaldehyde?
The InChIKey is ZQKYDUQDYLBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O4/c19-10-11-5-6-15(18(20)21)16(7-11)22-13-8-12-3-1-2-4-14(12)17-9-13/h1-10H.
What are the key properties of 4-nitro-3-quinolin-3-yloxybenzaldehyde?
4-nitro-3-quinolin-3-yloxybenzaldehyde has a molecular weight of 294.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-quinolin-3-yloxybenzaldehyde is sourced from PubChem (CID 164741302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).