N-(5-bromoquinolin-8-yl)-4-methylbenzamide

C17H13BrN2O — CID 797077

IUPACN-(5-bromoquinolin-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-4-6-12(7-5-11)17(21)20-15-9-8-14(18)13-3-2-10-19-16(13)15/h2-10H,1H3,(H,20,21)
InChIKeyIAINBBDPQGXHSU-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

About N-(5-bromoquinolin-8-yl)-4-methylbenzamide

N-(5-bromoquinolin-8-yl)-4-methylbenzamide (PubChem CID 797077) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-4-methylbenzamide
PubChem CID797077
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC NameN-(5-bromoquinolin-8-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C17H13BrN2O/c1-11-4-6-12(7-5-11)17(21)20-15-9-8-14(18)13-3-2-10-19-16(13)15/h2-10H,1H3,(H,20,21)
InChIKeyIAINBBDPQGXHSU-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-4-methylbenzamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-4-methylbenzamide (CID 797077) is N-(5-bromoquinolin-8-yl)-4-methylbenzamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-4-methylbenzamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-4-methylbenzamide?
The InChIKey is IAINBBDPQGXHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-4-6-12(7-5-11)17(21)20-15-9-8-14(18)13-3-2-10-19-16(13)15/h2-10H,1H3,(H,20,21).
What are the key properties of N-(5-bromoquinolin-8-yl)-4-methylbenzamide?
N-(5-bromoquinolin-8-yl)-4-methylbenzamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-4-methylbenzamide is sourced from PubChem (CID 797077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).