3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C16H11Br2N3O2 — CID 3648461

IUPAC3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1c(O)cc(Br)cc1Br
InChIInChI=1S/C16H11Br2N3O2/c1-9-20-14-5-3-2-4-11(14)16(23)21(9)19-8-12-13(18)6-10(17)7-15(12)22/h2-8,22H,1H3
InChIKeyZWFDBYUENRTHNH-UHFFFAOYSA-N
MW437.09 g/mol
LogP3.82
Rot. Bonds2

About 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 3648461) has the molecular formula C16H11Br2N3O2 and a molecular weight of 437.09 g/mol. Its IUPAC name is 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID3648461
Molecular FormulaC16H11Br2N3O2
Molecular Weight437.09 g/mol
Exact Mass434.92
IUPAC Name3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1c(O)cc(Br)cc1Br
InChIInChI=1S/C16H11Br2N3O2/c1-9-20-14-5-3-2-4-11(14)16(23)21(9)19-8-12-13(18)6-10(17)7-15(12)22/h2-8,22H,1H3
InChIKeyZWFDBYUENRTHNH-UHFFFAOYSA-N
XLogP3.82
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.09
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-(6-bromo-2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 136736825
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
3-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
CID 5423325
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 3648461) is 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1N=Cc1c(O)cc(Br)cc1Br.
What is the InChIKey of 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is ZWFDBYUENRTHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O2/c1-9-20-14-5-3-2-4-11(14)16(23)21(9)19-8-12-13(18)6-10(17)7-15(12)22/h2-8,22H,1H3.
What are the key properties of 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 437.09 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 3648461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).