1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

C14H14F2N2O3 — CID 82251641

IUPAC1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C14H14F2N2O3/c1-17(2)3-4-18-7-10(14(20)21)13(19)9-5-8(15)6-11(16)12(9)18/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyRWFHZALTCDIPOH-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.54
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 82251641) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID82251641
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Name1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21
InChIInChI=1S/C14H14F2N2O3/c1-17(2)3-4-18-7-10(14(20)21)13(19)9-5-8(15)6-11(16)12(9)18/h5-7H,3-4H2,1-2H3,(H,20,21)
InChIKeyRWFHZALTCDIPOH-UHFFFAOYSA-N
XLogP1.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
6-fluoro-1-(2-fluoroethyl)-8-methyl-4-oxo-7-propan-2-ylquinoline-3-carboxylic acid
CID 58277198
6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 3357
1-(2-carbamoyloxyethyl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
CID 21460303
8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 66487817
7-fluoro-10,12-dimethyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5(13),6,8-tetraene-3-carboxylic acid
CID 21445360
7-ethoxy-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 171060805
7-bromo-6-fluoro-1-(2-methylpropyl)-4-oxoquinoline-3-carboxylic acid
CID 145086346
6-[(2,3-dichlorophenyl)methyl]-8-fluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 5276969
1-benzyl-3-(4-ethoxybenzoyl)-6,8-difluoroquinolin-4-one
CID 2134967
6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)quinoline-3-carboxylic acid
CID 19908251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid (CID 82251641) is 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is CN(C)CCn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is RWFHZALTCDIPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-17(2)3-4-18-7-10(14(20)21)13(19)9-5-8(15)6-11(16)12(9)18/h5-7H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 296.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82251641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).