1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid

C16H11ClF2N4O3 — CID 23284772

IUPAC1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
SMILESCNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(N)n3)c2c1Cl
InChIInChI=1S/C16H11ClF2N4O3/c1-21-12-9(19)4-6-13(11(12)17)23(5-7(14(6)24)16(25)26)10-3-2-8(18)15(20)22-10/h2-5,21H,1H3,(H2,20,22)(H,25,26)
InChIKeyFBOKDBKTFNUYLE-UHFFFAOYSA-N
MW380.74 g/mol
LogP2.64
Rot. Bonds3

About 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid

1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid (PubChem CID 23284772) has the molecular formula C16H11ClF2N4O3 and a molecular weight of 380.74 g/mol. Its IUPAC name is 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
PubChem CID23284772
Molecular FormulaC16H11ClF2N4O3
Molecular Weight380.74 g/mol
Exact Mass380.05
IUPAC Name1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
SMILESCNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(N)n3)c2c1Cl
InChIInChI=1S/C16H11ClF2N4O3/c1-21-12-9(19)4-6-13(11(12)17)23(5-7(14(6)24)16(25)26)10-3-2-8(18)15(20)22-10/h2-5,21H,1H3,(H2,20,22)(H,25,26)
InChIKeyFBOKDBKTFNUYLE-UHFFFAOYSA-N
XLogP2.64
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(5-amino-2-fluorophenyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 23284798
1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 22121217
1-(5-amino-2,4-difluorophenyl)-8-ethynyl-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 23284814
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;trihydrate
CID 46206335
1-(5-amino-2,4-difluorophenyl)-8-chloro-7-(dimethylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 23284776
1-(6-amino-4-chloro-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 170457987
1-(3-amino-2,4,6-trifluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22441073
1-[2-(acetyloxymethyl)-5-amino-4-fluorophenyl]-8-chloro-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
CID 172774232
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-[4-(1-fluoro-2-hydroxyethylidene)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 42641995
1-(6-amino-3,5-difluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 11578213
1-(6-amino-3,5-difluoro-2-pyridinyl)-7-[(3E)-3-(1-aminopropan-2-ylidene)piperidin-1-yl]-8-chloro-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 42642109

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid (CID 23284772) is 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid is CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(N)n3)c2c1Cl.
What is the InChIKey of 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FBOKDBKTFNUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O3/c1-21-12-9(19)4-6-13(11(12)17)23(5-7(14(6)24)16(25)26)10-3-2-8(18)15(20)22-10/h2-5,21H,1H3,(H2,20,22)(H,25,26).
What are the key properties of 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid?
1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 380.74 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 23284772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).