4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

C20H23FN2O — CID 89099570

IUPAC4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C=O)CNCC2(C)C
InChIInChI=1S/C20H23FN2O/c1-12(2)18-16(10-24)17(13-5-7-14(21)8-6-13)15-9-22-11-20(3,4)19(15)23-18/h5-8,10,12,22H,9,11H2,1-4H3
InChIKeyJSBCLTMAKJUXCL-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.20
Rot. Bonds3

About 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde

4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (PubChem CID 89099570) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
PubChem CID89099570
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C=O)CNCC2(C)C
InChIInChI=1S/C20H23FN2O/c1-12(2)18-16(10-24)17(13-5-7-14(21)8-6-13)15-9-22-11-20(3,4)19(15)23-18/h5-8,10,12,22H,9,11H2,1-4H3
InChIKeyJSBCLTMAKJUXCL-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.20
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)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde (CID 89099570) is 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C=O)CNCC2(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
The InChIKey is JSBCLTMAKJUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-12(2)18-16(10-24)17(13-5-7-14(21)8-6-13)15-9-22-11-20(3,4)19(15)23-18/h5-8,10,12,22H,9,11H2,1-4H3.
What are the key properties of 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde?
4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde has a molecular weight of 326.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 89099570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).