2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile

C16H10ClN3O — CID 167840162

IUPAC2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile
SMILESCc1cccc2ncnc(Oc3cccc(Cl)c3C#N)c12
InChIInChI=1S/C16H10ClN3O/c1-10-4-2-6-13-15(10)16(20-9-19-13)21-14-7-3-5-12(17)11(14)8-18/h2-7,9H,1H3
InChIKeyKQITVHDMVBCZGX-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.26
Rot. Bonds2

About 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile

2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile (PubChem CID 167840162) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile
PubChem CID167840162
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile
SMILESCc1cccc2ncnc(Oc3cccc(Cl)c3C#N)c12
InChIInChI=1S/C16H10ClN3O/c1-10-4-2-6-13-15(10)16(20-9-19-13)21-14-7-3-5-12(17)11(14)8-18/h2-7,9H,1H3
InChIKeyKQITVHDMVBCZGX-UHFFFAOYSA-N
XLogP4.26
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
2-(2,4-dichlorophenoxy)-6-methylbenzonitrile
CID 21429560
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
2-(2-amino-4-methylphenoxy)-6-chlorobenzonitrile
CID 62497150
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
2-(4-bromo-3-methylphenoxy)-6-chlorobenzonitrile
CID 83133521
2-chloro-6-(2,4,5-trichlorophenoxy)benzonitrile
CID 60677682
4-(2-chlorophenoxy)quinazoline
CID 31538122
2-chloro-6-[6-(3-chloro-2-cyanophenoxy)naphthalen-2-yl]oxybenzonitrile
CID 58559891
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707
2-chloro-6-(4-propoxyphenoxy)benzonitrile
CID 63512370

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile?
The IUPAC name of 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile (CID 167840162) is 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile is Cc1cccc2ncnc(Oc3cccc(Cl)c3C#N)c12.
What is the InChIKey of 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile?
The InChIKey is KQITVHDMVBCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c1-10-4-2-6-13-15(10)16(20-9-19-13)21-14-7-3-5-12(17)11(14)8-18/h2-7,9H,1H3.
What are the key properties of 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile?
2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile has a molecular weight of 295.73 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile is sourced from PubChem (CID 167840162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).