2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde

C24H15FN2O — CID 144675061

IUPAC2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde
SMILESCc1ccc(C#Cc2ccc(-c3cc(C=O)c4cnccc4n3)cc2)c(F)c1
InChIInChI=1S/C24H15FN2O/c1-16-2-6-18(22(25)12-16)7-3-17-4-8-19(9-5-17)24-13-20(15-28)21-14-26-11-10-23(21)27-24/h2,4-6,8-15H,1H3
InChIKeyPDHTYAUHNVAKHQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.96
Rot. Bonds2

About 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde

2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde (PubChem CID 144675061) has the molecular formula C24H15FN2O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde
PubChem CID144675061
Molecular FormulaC24H15FN2O
Molecular Weight366.40 g/mol
Exact Mass366.12
IUPAC Name2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde
SMILESCc1ccc(C#Cc2ccc(-c3cc(C=O)c4cnccc4n3)cc2)c(F)c1
InChIInChI=1S/C24H15FN2O/c1-16-2-6-18(22(25)12-16)7-3-17-4-8-19(9-5-17)24-13-20(15-28)21-14-26-11-10-23(21)27-24/h2,4-6,8-15H,1H3
InChIKeyPDHTYAUHNVAKHQ-UHFFFAOYSA-N
XLogP4.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde?
The IUPAC name of 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde (CID 144675061) is 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde.
What is the SMILES notation for 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde?
The canonical SMILES for 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde is Cc1ccc(C#Cc2ccc(-c3cc(C=O)c4cnccc4n3)cc2)c(F)c1.
What is the InChIKey of 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde?
The InChIKey is PDHTYAUHNVAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O/c1-16-2-6-18(22(25)12-16)7-3-17-4-8-19(9-5-17)24-13-20(15-28)21-14-26-11-10-23(21)27-24/h2,4-6,8-15H,1H3.
What are the key properties of 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde?
2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde has a molecular weight of 366.40 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]-1,6-naphthyridine-4-carbaldehyde is sourced from PubChem (CID 144675061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).