6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one

C23H18BrN3OS — CID 126294577

IUPAC6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H18BrN3OS/c1-2-22-26-20-13-12-17(24)14-19(20)23(28)27(22)25-15-16-8-6-7-11-21(16)29-18-9-4-3-5-10-18/h3-15H,2H2,1H3
InChIKeyHFPFIGOBHYWKSU-UHFFFAOYSA-N
MW464.39 g/mol
LogP5.75
Rot. Bonds5

About 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one

6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 126294577) has the molecular formula C23H18BrN3OS and a molecular weight of 464.39 g/mol. Its IUPAC name is 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
PubChem CID126294577
Molecular FormulaC23H18BrN3OS
Molecular Weight464.39 g/mol
Exact Mass463.04
IUPAC Name6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
SMILESCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Sc1ccccc1
InChIInChI=1S/C23H18BrN3OS/c1-2-22-26-20-13-12-17(24)14-19(20)23(28)27(22)25-15-16-8-6-7-11-21(16)29-18-9-4-3-5-10-18/h3-15H,2H2,1H3
InChIKeyHFPFIGOBHYWKSU-UHFFFAOYSA-N
XLogP5.75
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-ethyl-3-[(2-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126306350
6-bromo-2-ethyl-3-[(4-iodophenyl)methylideneamino]quinazolin-4-one
CID 126311780
2-[2-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetonitrile
CID 126297062
6-bromo-2-ethyl-3-[(2-prop-2-ynoxyphenyl)methylideneamino]quinazolin-4-one
CID 126309106
6-bromo-2-ethyl-3-[(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]quinazolin-4-one
CID 126287558
6-bromo-3-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylideneamino]-2-ethylquinazolin-4-one
CID 126304155
6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126329972
(2S)-2-[3-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]propanoic acid
CID 126311276
6-bromo-3-[(4-phenylsulfanylphenyl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126308570
6-bromo-3-[(3-ethoxyphenyl)methylideneamino]-2-ethylquinazolin-4-one
CID 126287570
6-bromo-2-ethyl-3-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
CID 126292473
6-bromo-2-ethyl-3-[(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 126310407

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one (CID 126294577) is 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one is CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Sc1ccccc1.
What is the InChIKey of 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is HFPFIGOBHYWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3OS/c1-2-22-26-20-13-12-17(24)14-19(20)23(28)27(22)25-15-16-8-6-7-11-21(16)29-18-9-4-3-5-10-18/h3-15H,2H2,1H3.
What are the key properties of 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one?
6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 464.39 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126294577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).