2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid

C12H7ClF3NO3 — CID 69290578

IUPAC2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)cc(Cl)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7ClF3NO3/c13-8-4-10(18)17(5-11(19)20)9-3-6(12(14,15)16)1-2-7(8)9/h1-4H,5H2,(H,19,20)
InChIKeyWAWHTKWLBSQWDN-UHFFFAOYSA-N
MW305.64 g/mol
LogP2.76
Rot. Bonds2

About 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid

2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid (PubChem CID 69290578) has the molecular formula C12H7ClF3NO3 and a molecular weight of 305.64 g/mol. Its IUPAC name is 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid
PubChem CID69290578
Molecular FormulaC12H7ClF3NO3
Molecular Weight305.64 g/mol
Exact Mass305.01
IUPAC Name2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)cc(Cl)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C12H7ClF3NO3/c13-8-4-10(18)17(5-11(19)20)9-3-6(12(14,15)16)1-2-7(8)9/h1-4H,5H2,(H,19,20)
InChIKeyWAWHTKWLBSQWDN-UHFFFAOYSA-N
XLogP2.76
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-2-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-3-yl]indol-1-yl]acetic acid
CID 138662597
2-[4-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]pyrimidin-1-yl]acetic acid
CID 95916125
2-[1-oxo-6-(trifluoromethyl)isoquinolin-2-yl]acetic acid
CID 82063004
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 702585
2-(6-tert-butyl-3-chloro-9-oxo-4-propan-2-ylsulfanylacridin-10-yl)acetic acid
CID 138657930
2-[1-[(2,4-dichlorophenyl)methyl]-6-(trifluoromethyl)indazol-3-yl]acetic acid
CID 11711124
2-amino-2-[1-ethyl-2-methyl-6-(trifluoromethyl)indol-3-yl]acetic acid
CID 115073063
2-[6-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 19086705
3-[4-oxo-6-(trifluoromethyl)quinolin-1-yl]propanoic acid
CID 53264281
methyl 4-amino-1-benzyl-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207175
2-(5,6-dichloro-2,3-dimethyl-9-oxoacridin-10-yl)acetic acid
CID 138658409

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid?
The IUPAC name of 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid (CID 69290578) is 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid is O=C(O)Cn1c(=O)cc(Cl)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid?
The InChIKey is WAWHTKWLBSQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO3/c13-8-4-10(18)17(5-11(19)20)9-3-6(12(14,15)16)1-2-7(8)9/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid?
2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid has a molecular weight of 305.64 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-oxo-7-(trifluoromethyl)quinolin-1-yl]acetic acid is sourced from PubChem (CID 69290578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).