4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde

C16H18BNO3 — CID 86623715

IUPAC4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde
SMILESCC1(C)OB(c2ccnc3ccc(C=O)cc23)OC1(C)C
InChIInChI=1S/C16H18BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-8-18-14-6-5-11(10-19)9-12(13)14/h5-10H,1-4H3
InChIKeyNLPCXQYXOKJNQV-UHFFFAOYSA-N
MW283.14 g/mol
LogP2.35
Rot. Bonds2

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde (PubChem CID 86623715) has the molecular formula C16H18BNO3 and a molecular weight of 283.14 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde
PubChem CID86623715
Molecular FormulaC16H18BNO3
Molecular Weight283.14 g/mol
Exact Mass283.14
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde
SMILESCC1(C)OB(c2ccnc3ccc(C=O)cc23)OC1(C)C
InChIInChI=1S/C16H18BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-8-18-14-6-5-11(10-19)9-12(13)14/h5-10H,1-4H3
InChIKeyNLPCXQYXOKJNQV-UHFFFAOYSA-N
XLogP2.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbonitrile
CID 59373983
7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 123938422
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 177354322
4-chloroquinoline-6-carbaldehyde
CID 53417226
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
CID 119008928
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carbaldehyde
CID 167741454
2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol
CID 175991327
6-methylquinoxaline;quinoxaline-6-carbaldehyde
CID 157496961
4-methylquinoline-7-carbaldehyde
CID 22464912
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-5-carbaldehyde
CID 167734414
4-(4-methylthiophen-2-yl)quinoline-6-carbaldehyde
CID 87632317
2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbaldehyde
CID 75487332

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde (CID 86623715) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde is CC1(C)OB(c2ccnc3ccc(C=O)cc23)OC1(C)C.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde?
The InChIKey is NLPCXQYXOKJNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BNO3/c1-15(2)16(3,4)21-17(20-15)13-7-8-18-14-6-5-11(10-19)9-12(13)14/h5-10H,1-4H3.
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde?
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde has a molecular weight of 283.14 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde is sourced from PubChem (CID 86623715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).