5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline

C15H20BNO2 — CID 168807573

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline
SMILESCC1(C)OB(C2=CCCc3ncccc32)OC1(C)C
InChIInChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-8-5-9-13-11(12)7-6-10-17-13/h6-8,10H,5,9H2,1-4H3
InChIKeyOQTDFZCHLPJWSP-UHFFFAOYSA-N
MW257.14 g/mol
LogP3.04
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline (PubChem CID 168807573) has the molecular formula C15H20BNO2 and a molecular weight of 257.14 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline
PubChem CID168807573
Molecular FormulaC15H20BNO2
Molecular Weight257.14 g/mol
Exact Mass257.16
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline
SMILESCC1(C)OB(C2=CCCc3ncccc32)OC1(C)C
InChIInChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-8-5-9-13-11(12)7-6-10-17-13/h6-8,10H,5,9H2,1-4H3
InChIKeyOQTDFZCHLPJWSP-UHFFFAOYSA-N
XLogP3.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7H-cyclopenta[b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-cyclopenta[b]pyridine
CID 160510610
ethane;5-ethenyl-7,8-dihydroquinoline
CID 177360263
[1-(7,8-dihydroquinolin-5-yl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 67603949
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 131530179
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,6-dihydropyrrolo[2,3-b]azepine
CID 143838083
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,8-naphthyridine
CID 58516857
5-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 131748318
6-[(1R)-1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528186
18-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-14-oxa-12-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 171613082
2,6-dipyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 102315200
4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridine
CID 155906180
7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 175781475

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline (CID 168807573) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline is CC1(C)OB(C2=CCCc3ncccc32)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline?
The InChIKey is OQTDFZCHLPJWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-8-5-9-13-11(12)7-6-10-17-13/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline has a molecular weight of 257.14 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7,8-dihydroquinoline is sourced from PubChem (CID 168807573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).