6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one

C15H10Br2N4O — CID 164617962

IUPAC6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/Nc2ccccn2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C15H10Br2N4O/c16-9-7-10-14(11(17)8-9)20-13(21-15(10)22)4-6-19-12-3-1-2-5-18-12/h1-8H,(H,18,19)(H,20,21,22)/b6-4+
InChIKeyVODZUHSQDDVUFK-GQCTYLIASA-N
MW422.08 g/mol
LogP3.93
Rot. Bonds3

About 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one

6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one (PubChem CID 164617962) has the molecular formula C15H10Br2N4O and a molecular weight of 422.08 g/mol. Its IUPAC name is 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one
PubChem CID164617962
Molecular FormulaC15H10Br2N4O
Molecular Weight422.08 g/mol
Exact Mass419.92
IUPAC Name6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/Nc2ccccn2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C15H10Br2N4O/c16-9-7-10-14(11(17)8-9)20-13(21-15(10)22)4-6-19-12-3-1-2-5-18-12/h1-8H,(H,18,19)(H,20,21,22)/b6-4+
InChIKeyVODZUHSQDDVUFK-GQCTYLIASA-N
XLogP3.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one (CID 164617962) is 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/Nc2ccccn2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one?
The InChIKey is VODZUHSQDDVUFK-GQCTYLIASA-N. The full InChI is InChI=1S/C15H10Br2N4O/c16-9-7-10-14(11(17)8-9)20-13(21-15(10)22)4-6-19-12-3-1-2-5-18-12/h1-8H,(H,18,19)(H,20,21,22)/b6-4+.
What are the key properties of 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one?
6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one has a molecular weight of 422.08 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-[(E)-2-(pyridin-2-ylamino)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 164617962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).