6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one

C19H17Br2N3O — CID 126329972

IUPAC6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
SMILESCCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Br
InChIInChI=1S/C19H17Br2N3O/c1-2-3-8-18-23-17-10-9-14(20)11-15(17)19(25)24(18)22-12-13-6-4-5-7-16(13)21/h4-7,9-12H,2-3,8H2,1H3
InChIKeyQZMHBYXNGSXKBR-UHFFFAOYSA-N
MW463.17 g/mol
LogP5.15
Rot. Bonds5

About 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one

6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one (PubChem CID 126329972) has the molecular formula C19H17Br2N3O and a molecular weight of 463.17 g/mol. Its IUPAC name is 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
PubChem CID126329972
Molecular FormulaC19H17Br2N3O
Molecular Weight463.17 g/mol
Exact Mass460.97
IUPAC Name6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one
SMILESCCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Br
InChIInChI=1S/C19H17Br2N3O/c1-2-3-8-18-23-17-10-9-14(20)11-15(17)19(25)24(18)22-12-13-6-4-5-7-16(13)21/h4-7,9-12H,2-3,8H2,1H3
InChIKeyQZMHBYXNGSXKBR-UHFFFAOYSA-N
XLogP5.15
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.17
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-butyl-3-[(3,5-dibromo-4-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126321576
6-bromo-2-butyl-3-[[2-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126334010
6-bromo-2-butyl-3-[(4-chlorophenyl)methylideneamino]quinazolin-4-one
CID 126329248
6-bromo-2-butyl-3-[(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]quinazolin-4-one
CID 126325514
6-bromo-2-butyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylideneamino]quinazolin-4-one
CID 126330407
6-bromo-3-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-butylquinazolin-4-one
CID 126338375
6-bromo-3-[[1-[(2R)-butan-2-yl]indol-3-yl]methylideneamino]-2-butylquinazolin-4-one
CID 126317770
6-bromo-2-butyl-3-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126323975
6-bromo-3-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-butylquinazolin-4-one
CID 126325715
2-[3-[(6-bromo-2-butyl-4-oxoquinazolin-3-yl)iminomethyl]indol-1-yl]acetamide
CID 126343685
6-bromo-2-butyl-3-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylideneamino]quinazolin-4-one
CID 126322443
6-bromo-2-butyl-3-[(4-ethoxy-3,5-diiodophenyl)methylideneamino]quinazolin-4-one
CID 126323473

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one (CID 126329972) is 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one is CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1Br.
What is the InChIKey of 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one?
The InChIKey is QZMHBYXNGSXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2N3O/c1-2-3-8-18-23-17-10-9-14(20)11-15(17)19(25)24(18)22-12-13-6-4-5-7-16(13)21/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one?
6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one has a molecular weight of 463.17 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-bromophenyl)methylideneamino]-2-butylquinazolin-4-one is sourced from PubChem (CID 126329972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).