2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile

C28H18N4O — CID 118341936

IUPAC2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ncnc3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C28H18N4O/c29-15-14-18-8-11-20(12-9-18)32-28-24-16-19(10-13-25(24)30-17-31-28)21-5-3-6-23-22-4-1-2-7-26(22)33-27(21)23/h1-13,16-17H,14H2,(H,30,31,32)
InChIKeyOJNSNDZRCNBHTJ-UHFFFAOYSA-N
MW426.48 g/mol
LogP7.01
Rot. Bonds4

About 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile

2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile (PubChem CID 118341936) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile
PubChem CID118341936
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ncnc3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1
InChIInChI=1S/C28H18N4O/c29-15-14-18-8-11-20(12-9-18)32-28-24-16-19(10-13-25(24)30-17-31-28)21-5-3-6-23-22-4-1-2-7-26(22)33-27(21)23/h1-13,16-17H,14H2,(H,30,31,32)
InChIKeyOJNSNDZRCNBHTJ-UHFFFAOYSA-N
XLogP7.01
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile (CID 118341936) is 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile is N#CCc1ccc(Nc2ncnc3ccc(-c4cccc5c4oc4ccccc45)cc23)cc1.
What is the InChIKey of 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile?
The InChIKey is OJNSNDZRCNBHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c29-15-14-18-8-11-20(12-9-18)32-28-24-16-19(10-13-25(24)30-17-31-28)21-5-3-6-23-22-4-1-2-7-26(22)33-27(21)23/h1-13,16-17H,14H2,(H,30,31,32).
What are the key properties of 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile?
2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile has a molecular weight of 426.48 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-dibenzofuran-4-ylquinazolin-4-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 118341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).