6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C18H15BrN2O2 — CID 110296017

IUPAC6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C18H15BrN2O2/c19-14-6-7-16-13(10-14)11-15(18(23)21-16)17(22)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyHVAUANZOGDTFMW-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.26
Rot. Bonds4

About 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 110296017) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID110296017
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2cc(Br)ccc2[nH]c1=O
InChIInChI=1S/C18H15BrN2O2/c19-14-6-7-16-13(10-14)11-15(18(23)21-16)17(22)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23)
InChIKeyHVAUANZOGDTFMW-UHFFFAOYSA-N
XLogP3.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110416375
N-benzyl-6-bromo-N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 110296006
N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613142
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
N-[(4-bromophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 142731957
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
6-bromo-2-oxo-N-(3-phenylpropyl)chromene-3-carboxamide
CID 3816186
2-oxo-N-(2-thiophen-2-ylethyl)-1H-quinoline-3-carboxamide
CID 16589972
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
3,5-dibromo-N-(2-phenylethyl)benzamide
CID 107980021
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 110296017) is 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is O=C(NCCc1ccccc1)c1cc2cc(Br)ccc2[nH]c1=O.
What is the InChIKey of 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HVAUANZOGDTFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-14-6-7-16-13(10-14)11-15(18(23)21-16)17(22)20-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 371.23 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110296017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).