3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione

C16H12BrN3O3 — CID 5217285

IUPAC3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Br)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H12BrN3O3/c1-23-14-7-6-11(17)8-10(14)9-18-20-15(21)12-4-2-3-5-13(12)19-16(20)22/h2-9H,1H3,(H,19,22)
InChIKeyUSFLFNXIVRACEQ-UHFFFAOYSA-N
MW374.19 g/mol
LogP2.34
Rot. Bonds3

About 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione

3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione (PubChem CID 5217285) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
PubChem CID5217285
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
SMILESCOc1ccc(Br)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O
InChIInChI=1S/C16H12BrN3O3/c1-23-14-7-6-11(17)8-10(14)9-18-20-15(21)12-4-2-3-5-13(12)19-16(20)22/h2-9H,1H3,(H,19,22)
InChIKeyUSFLFNXIVRACEQ-UHFFFAOYSA-N
XLogP2.34
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromo-2-ethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 3950270
methyl 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]propanoate
CID 5155452
(2S)-2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126361859
(2R)-2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126354804
ethyl 2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]acetate
CID 3475424
3-[(2,4-dimethoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4302099
ethyl (2R)-2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoate
CID 126358175
3-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 135652455
3-[[2-[(2R)-butan-2-yl]oxy-5-chloro-3-methoxyphenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 126348308
2-[4-bromo-2-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126350518
3-[[5-chloro-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]-1H-quinazoline-2,4-dione
CID 3886355
3-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione
CID 4285543

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione (CID 5217285) is 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione is COc1ccc(Br)cc1C=Nn1c(=O)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
The InChIKey is USFLFNXIVRACEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c1-23-14-7-6-11(17)8-10(14)9-18-20-15(21)12-4-2-3-5-13(12)19-16(20)22/h2-9H,1H3,(H,19,22).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione?
3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione has a molecular weight of 374.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methylideneamino]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 5217285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).