N-(5-bromoquinolin-8-yl)benzamide

C32H22Br2N4O2 — CID 139202479

IUPACN-(5-bromoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccccc1.O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/2C16H11BrN2O/c2*17-13-8-9-14(15-12(13)7-4-10-18-15)19-16(20)11-5-2-1-3-6-11/h2*1-10H,(H,19,20)
InChIKeyQLNUUIRTGIJDFE-UHFFFAOYSA-N
MW654.36 g/mol
LogP8.50
Rot. Bonds4

About N-(5-bromoquinolin-8-yl)benzamide

N-(5-bromoquinolin-8-yl)benzamide (PubChem CID 139202479) has the molecular formula C32H22Br2N4O2 and a molecular weight of 654.36 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)benzamide
PubChem CID139202479
Molecular FormulaC32H22Br2N4O2
Molecular Weight654.36 g/mol
Exact Mass652.01
IUPAC NameN-(5-bromoquinolin-8-yl)benzamide
SMILESO=C(Nc1ccc(Br)c2cccnc12)c1ccccc1.O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/2C16H11BrN2O/c2*17-13-8-9-14(15-12(13)7-4-10-18-15)19-16(20)11-5-2-1-3-6-11/h2*1-10H,(H,19,20)
InChIKeyQLNUUIRTGIJDFE-UHFFFAOYSA-N
XLogP8.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.36
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)benzamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)benzamide (CID 139202479) is N-(5-bromoquinolin-8-yl)benzamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)benzamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)benzamide is O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1.O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)benzamide?
The InChIKey is QLNUUIRTGIJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11BrN2O/c2*17-13-8-9-14(15-12(13)7-4-10-18-15)19-16(20)11-5-2-1-3-6-11/h2*1-10H,(H,19,20).
What are the key properties of N-(5-bromoquinolin-8-yl)benzamide?
N-(5-bromoquinolin-8-yl)benzamide has a molecular weight of 654.36 g/mol, XLogP of 8.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)benzamide is sourced from PubChem (CID 139202479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).