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

C19H18BrN3O3 — CID 23350658

IUPAC3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Br)c1OC
InChIInChI=1S/C19H18BrN3O3/c1-4-26-17-10-13(9-15(20)18(17)25-3)11-21-23-12(2)22-16-8-6-5-7-14(16)19(23)24/h5-11H,4H2,1-3H3
InChIKeyMKNQRKQZFVUXDX-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.76
Rot. Bonds5

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

3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 23350658) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID23350658
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Br)c1OC
InChIInChI=1S/C19H18BrN3O3/c1-4-26-17-10-13(9-15(20)18(17)25-3)11-21-23-12(2)22-16-8-6-5-7-14(16)19(23)24/h5-11H,4H2,1-3H3
InChIKeyMKNQRKQZFVUXDX-UHFFFAOYSA-N
XLogP3.76
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.76
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

3-[(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126406683
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126287916
3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126409051
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126137147
3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 23350628
6-bromo-3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137089995
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
6-bromo-3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-tert-butylquinazolin-4-one
CID 126302214
3-[(3-bromo-4-ethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126409174
2-[2-ethoxy-4-[(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 2694037
3-[[3-bromo-4-[(2S)-butan-2-yl]oxy-5-ethoxyphenyl]methylideneamino]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126287242

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 23350658) is 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Br)c1OC.
What is the InChIKey of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is MKNQRKQZFVUXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c1-4-26-17-10-13(9-15(20)18(17)25-3)11-21-23-12(2)22-16-8-6-5-7-14(16)19(23)24/h5-11H,4H2,1-3H3.
What are the key properties of 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 416.28 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 23350658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).