2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide

C14H15BrN2O2 — CID 100739512

IUPAC2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O2/c1-9(2)16-14(19)8-17-6-5-13(18)11-4-3-10(15)7-12(11)17/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyJJZUPKCUAUPIAG-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.29
Rot. Bonds3

About 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide

2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide (PubChem CID 100739512) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
PubChem CID100739512
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ccc(=O)c2ccc(Br)cc21
InChIInChI=1S/C14H15BrN2O2/c1-9(2)16-14(19)8-17-6-5-13(18)11-4-3-10(15)7-12(11)17/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyJJZUPKCUAUPIAG-UHFFFAOYSA-N
XLogP2.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 100740902
2-(6-bromo-4-oxoquinolin-1-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 100737711
2-(7-bromo-4-oxoquinolin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 100739658
2-(6-methyl-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide
CID 100741082
methyl 4-[[2-(7-bromo-4-oxoquinolin-1-yl)acetyl]amino]benzoate
CID 100740419
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 100740360
2-(7-bromo-4-oxoquinolin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 100740874
2-(7-bromo-4-oxoquinolin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 100740298
2-(4-bromoindol-1-yl)-N-propan-2-ylacetamide
CID 116626047
2-(6-bromo-4-oxoquinolin-1-yl)-N-ethylacetamide
CID 100736017
3-(7-bromo-4-oxoquinolin-1-yl)propanehydrazide
CID 53264328

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide (CID 100739512) is 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ccc(=O)c2ccc(Br)cc21.
What is the InChIKey of 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is JJZUPKCUAUPIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9(2)16-14(19)8-17-6-5-13(18)11-4-3-10(15)7-12(11)17/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide?
2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 323.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-oxoquinolin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 100739512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).