2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

C19H17BrN2O2 — CID 1394928

IUPAC2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br
InChIInChI=1S/C19H17BrN2O2/c1-2-22(19(24)15-8-4-5-9-16(15)20)12-14-11-13-7-3-6-10-17(13)21-18(14)23/h3-11H,2,12H2,1H3,(H,21,23)
InChIKeyGIUVUYGUDGNVPA-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.95
Rot. Bonds4

About 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide

2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1394928) has the molecular formula C19H17BrN2O2 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1394928
Molecular FormulaC19H17BrN2O2
Molecular Weight385.26 g/mol
Exact Mass384.05
IUPAC Name2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br
InChIInChI=1S/C19H17BrN2O2/c1-2-22(19(24)15-8-4-5-9-16(15)20)12-14-11-13-7-3-6-10-17(13)21-18(14)23/h3-11H,2,12H2,1H3,(H,21,23)
InChIKeyGIUVUYGUDGNVPA-UHFFFAOYSA-N
XLogP3.95
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-fluoro-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 958945
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147
N-ethyl-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 945135
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
2-fluoro-N-(furan-2-ylmethyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2036920
4-fluoro-N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 4885893

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1394928) is 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is GIUVUYGUDGNVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2/c1-2-22(19(24)15-8-4-5-9-16(15)20)12-14-11-13-7-3-6-10-17(13)21-18(14)23/h3-11H,2,12H2,1H3,(H,21,23).
What are the key properties of 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide?
2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 385.26 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1394928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).