2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde

C19H18N2O3 — CID 87564865

IUPAC2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
SMILESCC(C)Oc1ccc(Oc2ccc3cc(CC=O)ccc3n2)nc1
InChIInChI=1S/C19H18N2O3/c1-13(2)23-16-5-8-18(20-12-16)24-19-7-4-15-11-14(9-10-22)3-6-17(15)21-19/h3-8,10-13H,9H2,1-2H3
InChIKeyOGCHCTFKUNQHJV-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.95
Rot. Bonds6

About 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde

2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde (PubChem CID 87564865) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
PubChem CID87564865
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde
SMILESCC(C)Oc1ccc(Oc2ccc3cc(CC=O)ccc3n2)nc1
InChIInChI=1S/C19H18N2O3/c1-13(2)23-16-5-8-18(20-12-16)24-19-7-4-15-11-14(9-10-22)3-6-17(15)21-19/h3-8,10-13H,9H2,1-2H3
InChIKeyOGCHCTFKUNQHJV-UHFFFAOYSA-N
XLogP3.95
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde?
The IUPAC name of 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde (CID 87564865) is 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde?
The canonical SMILES for 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde is CC(C)Oc1ccc(Oc2ccc3cc(CC=O)ccc3n2)nc1.
What is the InChIKey of 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde?
The InChIKey is OGCHCTFKUNQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(2)23-16-5-8-18(20-12-16)24-19-7-4-15-11-14(9-10-22)3-6-17(15)21-19/h3-8,10-13H,9H2,1-2H3.
What are the key properties of 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde?
2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde has a molecular weight of 322.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-propan-2-yloxy-2-pyridinyl)oxy]quinolin-6-yl]acetaldehyde is sourced from PubChem (CID 87564865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).