2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid

C14H13F2NO4 — CID 82251876

IUPAC2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2cc(F)c(F)cc2n1CCO
InChIInChI=1S/C14H13F2NO4/c1-7-8(5-13(19)20)14(21)9-4-10(15)11(16)6-12(9)17(7)2-3-18/h4,6,18H,2-3,5H2,1H3,(H,19,20)
InChIKeyONEUIZTUQPEVQB-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.21
Rot. Bonds4

About 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid

2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid (PubChem CID 82251876) has the molecular formula C14H13F2NO4 and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
PubChem CID82251876
Molecular FormulaC14H13F2NO4
Molecular Weight297.26 g/mol
Exact Mass297.08
IUPAC Name2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(=O)c2cc(F)c(F)cc2n1CCO
InChIInChI=1S/C14H13F2NO4/c1-7-8(5-13(19)20)14(21)9-4-10(15)11(16)6-12(9)17(7)2-3-18/h4,6,18H,2-3,5H2,1H3,(H,19,20)
InChIKeyONEUIZTUQPEVQB-UHFFFAOYSA-N
XLogP1.21
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid with MolForge

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Related Compounds

2-[1-(2-hydroxyethyl)-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetic acid
CID 46214284
2-(1-butyl-8-fluoro-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82250902
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
2-[6-fluoro-5-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-methylindol-3-yl]acetic acid
CID 18453878
2-(1-ethyl-6-methoxy-2-methyl-4-oxoquinolin-3-yl)acetic acid
CID 82248163
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83944682
fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
CID 144602812
2-[6-chloro-1-[(4-fluorophenyl)methyl]-5-hydroxy-2-methylindol-3-yl]acetic acid
CID 18453730

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid?
The IUPAC name of 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid (CID 82251876) is 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid is Cc1c(CC(=O)O)c(=O)c2cc(F)c(F)cc2n1CCO.
What is the InChIKey of 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid?
The InChIKey is ONEUIZTUQPEVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4/c1-7-8(5-13(19)20)14(21)9-4-10(15)11(16)6-12(9)17(7)2-3-18/h4,6,18H,2-3,5H2,1H3,(H,19,20).
What are the key properties of 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid?
2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid has a molecular weight of 297.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid is sourced from PubChem (CID 82251876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).