5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde

C16H11FN2O2 — CID 11778516

IUPAC5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde
SMILESCn1c(C=O)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C16H11FN2O2/c1-19-13(9-20)14(10-4-6-11(17)7-5-10)12-3-2-8-18-15(12)16(19)21/h2-9H,1H3
InChIKeyQNTBFHTXJVZKDX-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.55
Rot. Bonds2

About 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde

5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde (PubChem CID 11778516) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde.

Molecular Properties

Compound Name5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde
PubChem CID11778516
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde
SMILESCn1c(C=O)c(-c2ccc(F)cc2)c2cccnc2c1=O
InChIInChI=1S/C16H11FN2O2/c1-19-13(9-20)14(10-4-6-11(17)7-5-10)12-3-2-8-18-15(12)16(19)21/h2-9H,1H3
InChIKeyQNTBFHTXJVZKDX-UHFFFAOYSA-N
XLogP2.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 10446307
5,10-bis(4-fluorophenyl)benzo[g]quinoline
CID 59183532
5-(4-fluorophenyl)-8-oxo-7H-1,7-naphthyridine-6-carboxylic acid
CID 139809140
7-[5-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,7-naphthyridin-8-one
CID 171098944
7-methyl-5-(3-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 23364108
7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
CID 23364045
2-(4-fluorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 3514283
7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile
CID 22176122
5-hydroxy-7-methyl-1,7-naphthyridin-8-one
CID 141377823
5-ethyl-7-methyl-1,7-naphthyridin-8-one
CID 145148280
3-(4-fluorophenyl)-1-methylpyrrole-2-carbaldehyde
CID 57199023
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methoxyphenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
CID 23364040

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde?
The IUPAC name of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde (CID 11778516) is 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde.
What is the SMILES notation for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde?
The canonical SMILES for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde is Cn1c(C=O)c(-c2ccc(F)cc2)c2cccnc2c1=O.
What is the InChIKey of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde?
The InChIKey is QNTBFHTXJVZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c1-19-13(9-20)14(10-4-6-11(17)7-5-10)12-3-2-8-18-15(12)16(19)21/h2-9H,1H3.
What are the key properties of 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde?
5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde has a molecular weight of 282.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-7-methyl-8-oxo-1,7-naphthyridine-6-carbaldehyde is sourced from PubChem (CID 11778516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).