6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one

C23H24BrN3O3 — CID 126285743

IUPAC6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESC=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OC(C)C
InChIInChI=1S/C23H24BrN3O3/c1-6-7-17-10-16(11-21(29-5)22(17)30-14(2)3)13-25-27-15(4)26-20-9-8-18(24)12-19(20)23(27)28/h6,8-14H,1,7H2,2-5H3
InChIKeyIEEYZSDNBITUCH-UHFFFAOYSA-N
MW470.37 g/mol
LogP4.87
Rot. Bonds7

About 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126285743) has the molecular formula C23H24BrN3O3 and a molecular weight of 470.37 g/mol. Its IUPAC name is 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID126285743
Molecular FormulaC23H24BrN3O3
Molecular Weight470.37 g/mol
Exact Mass469.10
IUPAC Name6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESC=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OC(C)C
InChIInChI=1S/C23H24BrN3O3/c1-6-7-17-10-16(11-21(29-5)22(17)30-14(2)3)13-25-27-15(4)26-20-9-8-18(24)12-19(20)23(27)28/h6,8-14H,1,7H2,2-5H3
InChIKeyIEEYZSDNBITUCH-UHFFFAOYSA-N
XLogP4.87
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[[4-[(4-bromophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126303491
6-bromo-3-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126288279
6-bromo-3-[[3-methoxy-4-[(3-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126283774
6-bromo-3-[[4-[(2R)-butan-2-yl]oxy-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-tert-butylquinazolin-4-one
CID 126300234
methyl (2S)-2-[4-[(6-bromo-2-ethyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methoxy-6-prop-2-enylphenoxy]propanoate
CID 126284460
(2R)-2-[4-[(6-bromo-4-oxo-2-propylquinazolin-3-yl)iminomethyl]-2-methoxy-6-prop-2-enylphenoxy]propanoic acid
CID 126323818
6-bromo-3-[[4-(2,2-dimethylpropoxy)-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126289246
6-bromo-3-[[4-[(2R)-butan-2-yl]oxy-3-methoxy-5-prop-2-enylphenyl]methylideneamino]-2-cyclohexylquinazolin-4-one
CID 126342598
6-bromo-3-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126286964
2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-2-methoxy-6-prop-2-enylphenoxy]-N-(2-methylphenyl)acetamide
CID 126296554
6-bromo-3-[(3-methoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]-2-propan-2-ylquinazolin-4-one
CID 126304845
(2S)-2-[2-bromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]propanoic acid
CID 126298881

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 126285743) is 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one is C=CCc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(OC)c1OC(C)C.
What is the InChIKey of 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is IEEYZSDNBITUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN3O3/c1-6-7-17-10-16(11-21(29-5)22(17)30-14(2)3)13-25-27-15(4)26-20-9-8-18(24)12-19(20)23(27)28/h6,8-14H,1,7H2,2-5H3.
What are the key properties of 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 470.37 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3-methoxy-4-propan-2-yloxy-5-prop-2-enylphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126285743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).