4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde

C18H15FN2O2 — CID 14850558

IUPAC4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde
SMILESCC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H15FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-10H,1-2H3,(H,20,21,23)
InChIKeyWZMZLAZKGMLQHU-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.67
Rot. Bonds3

About 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde

4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde (PubChem CID 14850558) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde
PubChem CID14850558
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde
SMILESCC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C18H15FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-10H,1-2H3,(H,20,21,23)
InChIKeyWZMZLAZKGMLQHU-UHFFFAOYSA-N
XLogP3.67
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde (CID 14850558) is 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde is CC(C)c1nc2[nH]c(=O)ccc2c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde?
The InChIKey is WZMZLAZKGMLQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-10(2)17-14(9-22)16(11-3-5-12(19)6-4-11)13-7-8-15(23)20-18(13)21-17/h3-10H,1-2H3,(H,20,21,23).
What are the key properties of 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde?
4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 310.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-8H-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 14850558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).