4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol

C25H24N2O — CID 173038113

IUPAC4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1nccc2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H24N2O/c1-25(2,28)15-13-22-21-17-20(18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)27-23(21)14-16-26-22/h3-12,14,16-17,28H,13,15H2,1-2H3
InChIKeyJUWCOSPHEBDBOF-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.67
Rot. Bonds5

About 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol

4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol (PubChem CID 173038113) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
PubChem CID173038113
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1nccc2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H24N2O/c1-25(2,28)15-13-22-21-17-20(18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)27-23(21)14-16-26-22/h3-12,14,16-17,28H,13,15H2,1-2H3
InChIKeyJUWCOSPHEBDBOF-UHFFFAOYSA-N
XLogP5.67
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol (CID 173038113) is 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol is CC(C)(O)CCc1nccc2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol?
The InChIKey is JUWCOSPHEBDBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-25(2,28)15-13-22-21-17-20(18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)27-23(21)14-16-26-22/h3-12,14,16-17,28H,13,15H2,1-2H3.
What are the key properties of 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol?
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol has a molecular weight of 368.48 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 173038113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).