2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline

C17H24BNO2 — CID 156708955

IUPAC2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline
SMILESCC1(C)C=Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2N1
InChIInChI=1S/C17H24BNO2/c1-15(2)10-9-12-7-8-13(11-14(12)19-15)18-20-16(3,4)17(5,6)21-18/h7-11,19H,1-6H3
InChIKeyODMIILAQYNSCMB-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.20
Rot. Bonds1

About 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline

2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline (PubChem CID 156708955) has the molecular formula C17H24BNO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline.

Molecular Properties

Compound Name2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline
PubChem CID156708955
Molecular FormulaC17H24BNO2
Molecular Weight285.20 g/mol
Exact Mass285.19
IUPAC Name2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline
SMILESCC1(C)C=Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2N1
InChIInChI=1S/C17H24BNO2/c1-15(2)10-9-12-7-8-13(11-14(12)19-15)18-20-16(3,4)17(5,6)21-18/h7-11,19H,1-6H3
InChIKeyODMIILAQYNSCMB-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoxaline
CID 133060729
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-naphthalen-2-one
CID 58354222
CID 88941720
CID 88941720
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140723688
4,4,5,5-tetramethyl-2-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622
3-amino-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 69219240
2-chloro-N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 59189593
2-iodo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 148593131
3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-1-ol
CID 70958583

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline?
The IUPAC name of 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline (CID 156708955) is 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline.
What is the SMILES notation for 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline?
The canonical SMILES for 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline is CC1(C)C=Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2N1.
What is the InChIKey of 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline?
The InChIKey is ODMIILAQYNSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BNO2/c1-15(2)10-9-12-7-8-13(11-14(12)19-15)18-20-16(3,4)17(5,6)21-18/h7-11,19H,1-6H3.
What are the key properties of 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline?
2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline has a molecular weight of 285.20 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-quinoline is sourced from PubChem (CID 156708955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).