4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide

C16H13BrN4O2 — CID 137442931

IUPAC4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cc(Br)cc2c(Nc3ccc(C(N)=O)cc3)ncnc12
InChIInChI=1S/C16H13BrN4O2/c1-23-13-7-10(17)6-12-14(13)19-8-20-16(12)21-11-4-2-9(3-5-11)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,20,21)
InChIKeyCJMZQLNDGUTGMQ-UHFFFAOYSA-N
MW373.21 g/mol
LogP3.24
Rot. Bonds4

About 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide

4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide (PubChem CID 137442931) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide
PubChem CID137442931
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide
SMILESCOc1cc(Br)cc2c(Nc3ccc(C(N)=O)cc3)ncnc12
InChIInChI=1S/C16H13BrN4O2/c1-23-13-7-10(17)6-12-14(13)19-8-20-16(12)21-11-4-2-9(3-5-11)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,20,21)
InChIKeyCJMZQLNDGUTGMQ-UHFFFAOYSA-N
XLogP3.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide?
The IUPAC name of 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide (CID 137442931) is 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide is COc1cc(Br)cc2c(Nc3ccc(C(N)=O)cc3)ncnc12.
What is the InChIKey of 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide?
The InChIKey is CJMZQLNDGUTGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-23-13-7-10(17)6-12-14(13)19-8-20-16(12)21-11-4-2-9(3-5-11)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide?
4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide has a molecular weight of 373.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-8-methoxyquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 137442931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).