2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid

C14H12F2N2O4 — CID 23117845

IUPAC2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCCn1cc(C(=O)NCC(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H12F2N2O4/c1-2-18-6-8(14(22)17-5-12(19)20)13(21)7-3-9(15)10(16)4-11(7)18/h3-4,6H,2,5H2,1H3,(H,17,22)(H,19,20)
InChIKeyIKQLMLJYIMXJJM-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.11
Rot. Bonds4

About 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid

2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid (PubChem CID 23117845) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
PubChem CID23117845
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Name2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid
SMILESCCn1cc(C(=O)NCC(=O)O)c(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C14H12F2N2O4/c1-2-18-6-8(14(22)17-5-12(19)20)13(21)7-3-9(15)10(16)4-11(7)18/h3-4,6H,2,5H2,1H3,(H,17,22)(H,19,20)
InChIKeyIKQLMLJYIMXJJM-UHFFFAOYSA-N
XLogP1.11
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

1-ethyl-6-fluoro-7-(hydroxyamino)-4-oxoquinoline-3-carboxylic acid
CID 14148324
1-ethyl-7-fluoro-6-iodo-4-oxoquinoline-3-carboxylic acid
CID 68795840
2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-(2-piperidin-1-ylethyl)quinoline-3-carbonyl]amino]acetic acid
CID 68916349
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-6-fluoro-N-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 10959389
7-(azepan-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 30380123
3-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoic acid
CID 8022644
N-(cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 167777571
methyl 1-ethyl-6-fluoro-4-oxo-7-(trifluoromethylsulfonyloxy)quinoline-3-carboxylate
CID 54222124
6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid
CID 23117753
7-azido-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10989497

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid (CID 23117845) is 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid is CCn1cc(C(=O)NCC(=O)O)c(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is IKQLMLJYIMXJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-2-18-6-8(14(22)17-5-12(19)20)13(21)7-3-9(15)10(16)4-11(7)18/h3-4,6H,2,5H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid?
2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 310.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-6,7-difluoro-4-oxoquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 23117845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).