2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol

C19H30BNO3 — CID 69468260

IUPAC2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C19H30BNO3/c1-11-9-13(20-23-18(5,6)19(7,8)24-20)10-14-12(2)16(22)17(3,4)21-15(11)14/h9-10,12,16,21-22H,1-8H3
InChIKeySVASVNFFIKQKKV-UHFFFAOYSA-N
MW331.27 g/mol
LogP2.96
Rot. Bonds1

About 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol

2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol (PubChem CID 69468260) has the molecular formula C19H30BNO3 and a molecular weight of 331.27 g/mol. Its IUPAC name is 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol.

Molecular Properties

Compound Name2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol
PubChem CID69468260
Molecular FormulaC19H30BNO3
Molecular Weight331.27 g/mol
Exact Mass331.23
IUPAC Name2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1NC(C)(C)C(O)C2C
InChIInChI=1S/C19H30BNO3/c1-11-9-13(20-23-18(5,6)19(7,8)24-20)10-14-12(2)16(22)17(3,4)21-15(11)14/h9-10,12,16,21-22H,1-8H3
InChIKeySVASVNFFIKQKKV-UHFFFAOYSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734649
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973158
[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 74888619
(3R,4S)-6-bromo-7-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 69464783
2-(4-methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11288475
(3S,4R)-5-chloro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 68883161
N-[[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]acetamide
CID 168875057
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 71303008
1-[[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-ethylurea
CID 168874985
2-(3,5-difluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131676913
2-(2-ethyl-7-methyl-1-benzothiophen-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157248095

Frequently Asked Questions

What is the IUPAC name of 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol?
The IUPAC name of 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol (CID 69468260) is 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol.
What is the SMILES notation for 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol?
The canonical SMILES for 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol is Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2c1NC(C)(C)C(O)C2C.
What is the InChIKey of 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol?
The InChIKey is SVASVNFFIKQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BNO3/c1-11-9-13(20-23-18(5,6)19(7,8)24-20)10-14-12(2)16(22)17(3,4)21-15(11)14/h9-10,12,16,21-22H,1-8H3.
What are the key properties of 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol?
2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol has a molecular weight of 331.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol is sourced from PubChem (CID 69468260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).