5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid

C13H11Cl2NO3 — CID 82252234

IUPAC5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H11Cl2NO3/c1-6(2)16-5-8(13(18)19)12(17)11-9(15)3-7(14)4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyWZERBGBRNAVUJR-UHFFFAOYSA-N
MW300.14 g/mol
LogP3.59
Rot. Bonds2

About 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid

5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid (PubChem CID 82252234) has the molecular formula C13H11Cl2NO3 and a molecular weight of 300.14 g/mol. Its IUPAC name is 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
PubChem CID82252234
Molecular FormulaC13H11Cl2NO3
Molecular Weight300.14 g/mol
Exact Mass299.01
IUPAC Name5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H11Cl2NO3/c1-6(2)16-5-8(13(18)19)12(17)11-9(15)3-7(14)4-10(11)16/h3-6H,1-2H3,(H,18,19)
InChIKeyWZERBGBRNAVUJR-UHFFFAOYSA-N
XLogP3.59
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-1-propan-2-yl-7-propan-2-yloxyquinoline-3-carboxylic acid
CID 82250463
1-propan-2-yl-4-(trifluoromethyl)indole-3-carboxylic acid
CID 117119563
1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
CID 117119721
1-butan-2-yl-7-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143297468
5-hydroxy-4-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 136590204
6-bromo-3-chloro-1-propan-2-ylindole-4-carboxylic acid;methyl 6-bromo-1-propan-2-ylindole-4-carboxylate
CID 158405080
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
6-cyano-3-methyl-1-propan-2-ylindole-4-carboxylic acid
CID 67468089
ethyl 5,6,7-trifluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 167360941
2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117119738
7-[4-[bis(2-chloroethyl)aminomethyl]phenyl]-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 53346320
2-chloro-7-[(2S)-1-hydroxypropan-2-yl]-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 46178094

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid (CID 82252234) is 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid?
The InChIKey is WZERBGBRNAVUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3/c1-6(2)16-5-8(13(18)19)12(17)11-9(15)3-7(14)4-10(11)16/h3-6H,1-2H3,(H,18,19).
What are the key properties of 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid?
5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid has a molecular weight of 300.14 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 82252234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).