2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde

C17H14N2O3 — CID 174548243

IUPAC2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde
SMILESCC(=O)C1(C=O)C=C(O)c2ccncc2N1c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-12(21)17(11-20)9-16(22)14-7-8-18-10-15(14)19(17)13-5-3-2-4-6-13/h2-11,22H,1H3
InChIKeyYIIBRAFLUFRJAY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.66
Rot. Bonds3

About 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde

2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde (PubChem CID 174548243) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde
PubChem CID174548243
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde
SMILESCC(=O)C1(C=O)C=C(O)c2ccncc2N1c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-12(21)17(11-20)9-16(22)14-7-8-18-10-15(14)19(17)13-5-3-2-4-6-13/h2-11,22H,1H3
InChIKeyYIIBRAFLUFRJAY-UHFFFAOYSA-N
XLogP2.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde?
The IUPAC name of 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde (CID 174548243) is 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde?
The canonical SMILES for 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde is CC(=O)C1(C=O)C=C(O)c2ccncc2N1c1ccccc1.
What is the InChIKey of 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde?
The InChIKey is YIIBRAFLUFRJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12(21)17(11-20)9-16(22)14-7-8-18-10-15(14)19(17)13-5-3-2-4-6-13/h2-11,22H,1H3.
What are the key properties of 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde?
2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde has a molecular weight of 294.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-hydroxy-1-phenyl-1,7-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 174548243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).