4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine

C16H19BN2O2 — CID 74788995

IUPAC4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine
SMILESCC1(C)OB(/C=C/c2ccnc3ncccc23)OC1(C)C
InChIInChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)9-7-12-8-11-19-14-13(12)6-5-10-18-14/h5-11H,1-4H3/b9-7+
InChIKeyNLRPYOHNKQVCKB-VQHVLOKHSA-N
MW282.15 g/mol
LogP3.27
Rot. Bonds2

About 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine

4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine (PubChem CID 74788995) has the molecular formula C16H19BN2O2 and a molecular weight of 282.15 g/mol. Its IUPAC name is 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine.

Molecular Properties

Compound Name4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine
PubChem CID74788995
Molecular FormulaC16H19BN2O2
Molecular Weight282.15 g/mol
Exact Mass282.15
IUPAC Name4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine
SMILESCC1(C)OB(/C=C/c2ccnc3ncccc23)OC1(C)C
InChIInChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)9-7-12-8-11-19-14-13(12)6-5-10-18-14/h5-11H,1-4H3/b9-7+
InChIKeyNLRPYOHNKQVCKB-VQHVLOKHSA-N
XLogP3.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine?
The IUPAC name of 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine (CID 74788995) is 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine.
What is the SMILES notation for 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine?
The canonical SMILES for 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine is CC1(C)OB(/C=C/c2ccnc3ncccc23)OC1(C)C.
What is the InChIKey of 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine?
The InChIKey is NLRPYOHNKQVCKB-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H19BN2O2/c1-15(2)16(3,4)21-17(20-15)9-7-12-8-11-19-14-13(12)6-5-10-18-14/h5-11H,1-4H3/b9-7+.
What are the key properties of 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine?
4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine has a molecular weight of 282.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1,8-naphthyridine is sourced from PubChem (CID 74788995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).