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

C16H12BrN3O2 — CID 137125807

IUPAC6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C16H12BrN3O2/c1-10-19-15-7-4-12(17)8-14(15)16(22)20(10)18-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3
InChIKeyRYVJIIDGFYDLSZ-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.06
Rot. Bonds2

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

6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 137125807) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID137125807
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C16H12BrN3O2/c1-10-19-15-7-4-12(17)8-14(15)16(22)20(10)18-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3
InChIKeyRYVJIIDGFYDLSZ-UHFFFAOYSA-N
XLogP3.06
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 74406616
6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
6-bromo-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125747
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
(2S)-2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126307034
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
6-bromo-3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137089995
(2S)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126289490
6-bromo-3-[[3-bromo-4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126306062

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 137125807) is 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is RYVJIIDGFYDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-19-15-7-4-12(17)8-14(15)16(22)20(10)18-9-11-2-5-13(21)6-3-11/h2-9,21H,1H3.
What are the key properties of 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 358.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 137125807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).