2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide

C15H17BrN2O3 — CID 100737711

IUPAC2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C15H17BrN2O3/c1-10(9-21-2)17-15(20)8-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyZVURPWJJPRFWFC-SNVBAGLBSA-N
MW353.22 g/mol
LogP1.92
Rot. Bonds5

About 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 100737711) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID100737711
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21
InChIInChI=1S/C15H17BrN2O3/c1-10(9-21-2)17-15(20)8-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20)/t10-/m1/s1
InChIKeyZVURPWJJPRFWFC-SNVBAGLBSA-N
XLogP1.92
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100739512
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100737481
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
2-(6-bromo-4-oxoquinolin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 100736984
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 100736460
2-(6-bromo-4-oxoquinolin-1-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100736482
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
2-(6-bromo-4-oxoquinolin-1-yl)-N-cyclooctylacetamide
CID 100737684
2-(5-bromo-2,3-dioxoindol-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 61487892
N-(3-bromophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741597

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 100737711) is 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is ZVURPWJJPRFWFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-10(9-21-2)17-15(20)8-18-6-5-14(19)12-7-11(16)3-4-13(12)18/h3-7,10H,8-9H2,1-2H3,(H,17,20)/t10-/m1/s1.
What are the key properties of 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 353.22 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 100737711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).