6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline

C15H10BrN3O3 — CID 78764907

IUPAC6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline
SMILESO=[N+]([O-])c1ccccc1COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H10BrN3O3/c16-11-5-6-13-12(7-11)15(18-9-17-13)22-8-10-3-1-2-4-14(10)19(20)21/h1-7,9H,8H2
InChIKeyXXPCJZXBXVYBMN-UHFFFAOYSA-N
MW360.17 g/mol
LogP3.88
Rot. Bonds4

About 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline

6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline (PubChem CID 78764907) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline.

Molecular Properties

Compound Name6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline
PubChem CID78764907
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC Name6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline
SMILESO=[N+]([O-])c1ccccc1COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H10BrN3O3/c16-11-5-6-13-12(7-11)15(18-9-17-13)22-8-10-3-1-2-4-14(10)19(20)21/h1-7,9H,8H2
InChIKeyXXPCJZXBXVYBMN-UHFFFAOYSA-N
XLogP3.88
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromoquinazolin-4-yl)oxymethyl]benzonitrile
CID 112783896
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 60877744
(1S)-1-[5-bromo-2-[(2-nitrophenyl)methoxy]phenyl]ethanamine
CID 63367868
6-bromo-4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]quinazoline
CID 112769880
1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
1-bromo-3-(bromomethyl)-2-[(2-nitrophenyl)methoxy]benzene
CID 63535205
4-[4-(2-nitrophenoxy)butoxy]quinazoline
CID 3790434
6-bromo-4-[2-(2-fluorophenoxy)ethoxy]quinazoline
CID 4790054
1-[2-[(4-bromo-2-nitrophenyl)methoxy]phenyl]ethanone
CID 114381617
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline?
The IUPAC name of 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline (CID 78764907) is 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline.
What is the SMILES notation for 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline?
The canonical SMILES for 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline is O=[N+]([O-])c1ccccc1COc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline?
The InChIKey is XXPCJZXBXVYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-11-5-6-13-12(7-11)15(18-9-17-13)22-8-10-3-1-2-4-14(10)19(20)21/h1-7,9H,8H2.
What are the key properties of 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline?
6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline has a molecular weight of 360.17 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[(2-nitrophenyl)methoxy]quinazoline is sourced from PubChem (CID 78764907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).