2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane

C34H30BCl3N4O2 — CID 159930416

IUPAC2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2)OC1(C)C.Clc1nc(-c2ccccc2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C14H9ClN2.C12H17BO2.C8H4Cl2N2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-9H;5-9H,1-4H3;1-4H
InChIKeyNZOIOPPXBIMOPG-UHFFFAOYSA-N
MW643.81 g/mol
LogP8.87
Rot. Bonds2

About 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane

2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane (PubChem CID 159930416) has the molecular formula C34H30BCl3N4O2 and a molecular weight of 643.81 g/mol. Its IUPAC name is 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
PubChem CID159930416
Molecular FormulaC34H30BCl3N4O2
Molecular Weight643.81 g/mol
Exact Mass642.15
IUPAC Name2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2)OC1(C)C.Clc1nc(-c2ccccc2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C14H9ClN2.C12H17BO2.C8H4Cl2N2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-9H;5-9H,1-4H3;1-4H
InChIKeyNZOIOPPXBIMOPG-UHFFFAOYSA-N
XLogP8.87
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Chloroquinolin-3-yl)-6-phenylpyrimidin-2-amine
CID 129845430
4-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)quinazoline
CID 167742335
N,N'-bis(4-chloroquinazolin-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 20772113
4-Methyl-2-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 53629085
9-(4,6-diphenyl-2-pyrimidinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-Carbazole
CID 90331120
9-(4,6-Diphenylpyrimidin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 90331154
4-Chloro-2-[4-(4-chloroquinazolin-2-yl)phenyl]quinazoline
CID 117825089
4-Chloro-2-[2-(4-chloroquinazolin-2-yl)ethyl]quinazoline
CID 117825097
4-Chloro-2-[4-(4-chloroquinazolin-2-yl)cyclohexyl]quinazoline
CID 117825099
2-[3-[3-[3-(4,6-Diphenylpyrimidin-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 123552382
4-(3,5-Diphenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796905
4-(3-Phenylphenyl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinazoline
CID 140796914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The IUPAC name of 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane (CID 159930416) is 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2)OC1(C)C.Clc1nc(-c2ccccc2)c2ccccc2n1.Clc1nc(Cl)c2ccccc2n1.
What is the InChIKey of 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
The InChIKey is NZOIOPPXBIMOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2.C12H17BO2.C8H4Cl2N2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10;1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-9H;5-9H,1-4H3;1-4H.
What are the key properties of 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane?
2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane has a molecular weight of 643.81 g/mol, XLogP of 8.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylquinazoline;2,4-dichloroquinazoline;4,4,5,5-tetramethyl-2-phenyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159930416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).