1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid

C14H15FN2O3 — CID 82248737

IUPAC1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O3/c1-16(2)5-6-17-8-11(14(19)20)13(18)10-4-3-9(15)7-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyYUBKQUDAUVFLHQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 82248737) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID82248737
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCn1cc(C(=O)O)c(=O)c2ccc(F)cc21
InChIInChI=1S/C14H15FN2O3/c1-16(2)5-6-17-8-11(14(19)20)13(18)10-4-3-9(15)7-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,19,20)
InChIKeyYUBKQUDAUVFLHQ-UHFFFAOYSA-N
XLogP1.40
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251641
7-bromo-4-oxo-1-propylquinoline-3-carboxylic acid
CID 123972127
7-bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 50877261
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
1-octyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 142567534
1-benzyl-6-fluoroindole-3-carboxylic acid
CID 23073198
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
CID 10682892
7-chloro-3-[2-[1-[2-(dimethylamino)ethyl]-6-fluoroindol-3-yl]-2-oxoethoxy]naphthalene-2-carboxamide
CID 121473606
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 70388176
6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 15928670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid (CID 82248737) is 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid is CN(C)CCn1cc(C(=O)O)c(=O)c2ccc(F)cc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is YUBKQUDAUVFLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-16(2)5-6-17-8-11(14(19)20)13(18)10-4-3-9(15)7-12(10)17/h3-4,7-8H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 1.40, 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]-7-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82248737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).