3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid

C16H16BrNO3 — CID 82252911

IUPAC3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C16H16BrNO3/c1-9-12(5-7-15(19)20)16(21)13-8-10(17)2-6-14(13)18(9)11-3-4-11/h2,6,8,11H,3-5,7H2,1H3,(H,19,20)
InChIKeyCUOKLCOYAKGVFH-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.42
Rot. Bonds4

About 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid

3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid (PubChem CID 82252911) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
PubChem CID82252911
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)c2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C16H16BrNO3/c1-9-12(5-7-15(19)20)16(21)13-8-10(17)2-6-14(13)18(9)11-3-4-11/h2,6,8,11H,3-5,7H2,1H3,(H,19,20)
InChIKeyCUOKLCOYAKGVFH-UHFFFAOYSA-N
XLogP3.42
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The IUPAC name of 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid (CID 82252911) is 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid is Cc1c(CCC(=O)O)c(=O)c2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
The InChIKey is CUOKLCOYAKGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c1-9-12(5-7-15(19)20)16(21)13-8-10(17)2-6-14(13)18(9)11-3-4-11/h2,6,8,11H,3-5,7H2,1H3,(H,19,20).
What are the key properties of 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid?
3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid has a molecular weight of 350.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-1-cyclopropyl-2-methyl-4-oxoquinolin-3-yl)propanoic acid is sourced from PubChem (CID 82252911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).