4-bromo-N-quinolin-7-ylbenzamide

C16H11BrN2O — CID 831408

IUPAC4-bromo-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-13-6-3-12(4-7-13)16(20)19-14-8-5-11-2-1-9-18-15(11)10-14/h1-10H,(H,19,20)
InChIKeyYBCZFMFZZNLLRH-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About 4-bromo-N-quinolin-7-ylbenzamide

4-bromo-N-quinolin-7-ylbenzamide (PubChem CID 831408) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-quinolin-7-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-quinolin-7-ylbenzamide
PubChem CID831408
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name4-bromo-N-quinolin-7-ylbenzamide
SMILESO=C(Nc1ccc2cccnc2c1)c1ccc(Br)cc1
InChIInChI=1S/C16H11BrN2O/c17-13-6-3-12(4-7-13)16(20)19-14-8-5-11-2-1-9-18-15(11)10-14/h1-10H,(H,19,20)
InChIKeyYBCZFMFZZNLLRH-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-quinolin-7-ylbenzamide?
The IUPAC name of 4-bromo-N-quinolin-7-ylbenzamide (CID 831408) is 4-bromo-N-quinolin-7-ylbenzamide.
What is the SMILES notation for 4-bromo-N-quinolin-7-ylbenzamide?
The canonical SMILES for 4-bromo-N-quinolin-7-ylbenzamide is O=C(Nc1ccc2cccnc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-quinolin-7-ylbenzamide?
The InChIKey is YBCZFMFZZNLLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-13-6-3-12(4-7-13)16(20)19-14-8-5-11-2-1-9-18-15(11)10-14/h1-10H,(H,19,20).
What are the key properties of 4-bromo-N-quinolin-7-ylbenzamide?
4-bromo-N-quinolin-7-ylbenzamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-quinolin-7-ylbenzamide is sourced from PubChem (CID 831408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).