4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine

C25H16N4O — CID 156560747

IUPAC4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine
SMILESc1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(Nc3ccncc3)nc2c1
InChIInChI=1S/C25H16N4O/c1-3-7-21-19(6-1)24(29-25(28-21)27-17-11-13-26-14-12-17)16-9-10-23-20(15-16)18-5-2-4-8-22(18)30-23/h1-15H,(H,26,27,28,29)
InChIKeyCDGTXXDDZCBZMX-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.33
Rot. Bonds3

About 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine

4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine (PubChem CID 156560747) has the molecular formula C25H16N4O and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine
PubChem CID156560747
Molecular FormulaC25H16N4O
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine
SMILESc1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(Nc3ccncc3)nc2c1
InChIInChI=1S/C25H16N4O/c1-3-7-21-19(6-1)24(29-25(28-21)27-17-11-13-26-14-12-17)16-9-10-23-20(15-16)18-5-2-4-8-22(18)30-23/h1-15H,(H,26,27,28,29)
InChIKeyCDGTXXDDZCBZMX-UHFFFAOYSA-N
XLogP6.33
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine?
The IUPAC name of 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine (CID 156560747) is 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine.
What is the SMILES notation for 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine?
The canonical SMILES for 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine is c1ccc2c(-c3ccc4oc5ccccc5c4c3)nc(Nc3ccncc3)nc2c1.
What is the InChIKey of 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine?
The InChIKey is CDGTXXDDZCBZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O/c1-3-7-21-19(6-1)24(29-25(28-21)27-17-11-13-26-14-12-17)16-9-10-23-20(15-16)18-5-2-4-8-22(18)30-23/h1-15H,(H,26,27,28,29).
What are the key properties of 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine?
4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine has a molecular weight of 388.43 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N-pyridin-4-ylquinazolin-2-amine is sourced from PubChem (CID 156560747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).