6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C19H17Br2N3O3 — CID 126285741

IUPAC6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC
InChIInChI=1S/C19H17Br2N3O3/c1-4-27-18-12(7-14(21)9-17(18)26-3)10-22-24-11(2)23-16-6-5-13(20)8-15(16)19(24)25/h5-10H,4H2,1-3H3
InChIKeyHVVYLHCSYKWRPP-UHFFFAOYSA-N
MW495.17 g/mol
LogP4.52
Rot. Bonds5

About 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 126285741) has the molecular formula C19H17Br2N3O3 and a molecular weight of 495.17 g/mol. Its IUPAC name is 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID126285741
Molecular FormulaC19H17Br2N3O3
Molecular Weight495.17 g/mol
Exact Mass492.96
IUPAC Name6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC
InChIInChI=1S/C19H17Br2N3O3/c1-4-27-18-12(7-14(21)9-17(18)26-3)10-22-24-11(2)23-16-6-5-13(20)8-15(16)19(24)25/h5-10H,4H2,1-3H3
InChIKeyHVVYLHCSYKWRPP-UHFFFAOYSA-N
XLogP4.52
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.17
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-bromo-2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]acetate
CID 126293695
6-bromo-3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126299550
6-bromo-3-[(2,3-dibromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126313966
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
6-bromo-3-[(2,4-diethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126300391
6-bromo-3-[[2-[(4-bromophenyl)methoxy]-5-chloro-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126302106
6-bromo-3-[[5-bromo-2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126310595
2-[4-bromo-2-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-6-methoxyphenoxy]-N-(2-fluorophenyl)acetamide
CID 126287118
6-bromo-3-[[4-[(4-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126311347
6-bromo-2-tert-butyl-3-[(5-chloro-2-ethoxy-3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126293790
6-bromo-3-[[2-[(2S)-butan-2-yl]oxy-5-chloro-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126282148
6-bromo-3-[(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-2-[(2S)-butan-2-yl]quinazolin-4-one
CID 126322042

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 126285741) is 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is CCOc1c(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc(Br)cc1OC.
What is the InChIKey of 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is HVVYLHCSYKWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Br2N3O3/c1-4-27-18-12(7-14(21)9-17(18)26-3)10-22-24-11(2)23-16-6-5-13(20)8-15(16)19(24)25/h5-10H,4H2,1-3H3.
What are the key properties of 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 495.17 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(5-bromo-2-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 126285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).