1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid

C19H16BrF2N5O3 — CID 22121217

IUPAC1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)c(N)n4)c3c2Br)C1
InChIInChI=1S/C19H16BrF2N5O3/c1-24-8-5-26(6-8)16-12(22)4-9-15(14(16)20)27(7-10(17(9)28)19(29)30)13-3-2-11(21)18(23)25-13/h2-4,7-8,24H,5-6H2,1H3,(H2,23,25)(H,29,30)
InChIKeyDUZGPHAVRLBTID-UHFFFAOYSA-N
MW480.27 g/mol
LogP2.11
Rot. Bonds4

About 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid

1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 22121217) has the molecular formula C19H16BrF2N5O3 and a molecular weight of 480.27 g/mol. Its IUPAC name is 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID22121217
Molecular FormulaC19H16BrF2N5O3
Molecular Weight480.27 g/mol
Exact Mass479.04
IUPAC Name1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)c(N)n4)c3c2Br)C1
InChIInChI=1S/C19H16BrF2N5O3/c1-24-8-5-26(6-8)16-12(22)4-9-15(14(16)20)27(7-10(17(9)28)19(29)30)13-3-2-11(21)18(23)25-13/h2-4,7-8,24H,5-6H2,1H3,(H2,23,25)(H,29,30)
InChIKeyDUZGPHAVRLBTID-UHFFFAOYSA-N
XLogP2.11
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.27
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylate
CID 10984226
1-(6-amino-5-fluoro-2-pyridinyl)-8-chloro-6-fluoro-7-(methylamino)-4-oxoquinoline-3-carboxylic acid
CID 23284772
1-[2-(acetyloxymethyl)-5-amino-4-fluorophenyl]-8-bromo-7-[3-(ethylamino)azetidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 151794394
7-[(3S)-3-[[(2R)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 57282807
7-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67837321
(4-methylphenyl)sulfonyl 1-(6-amino-3,5-difluoro-2-pyridinyl)-8-bromo-6-fluoro-4-oxo-7-[3-(propan-2-ylamino)azetidin-1-yl]quinoline-3-carboxylate
CID 87538304
1-cyclopropyl-6,8-difluoro-4-oxo-7-[3-[(2,2,2-trifluoroacetyl)amino]azetidin-1-yl]quinoline-3-carboxylic acid
CID 10455418
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
7-(3-aminopyrrolidin-1-yl)-6,8-difluoro-1-(5-fluoro-2-pyridinyl)-4-oxoquinoline-3-carboxylic acid
CID 18985321
7-fluoro-2-methyl-6-[3-(methylamino)pyrrolidin-1-yl]-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 14576633
1-cyclopropyl-6-fluoro-8-hydroxy-4-oxo-7-[(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 11797495
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CID 6918202

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid (CID 22121217) is 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid is CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)c(N)n4)c3c2Br)C1.
What is the InChIKey of 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is DUZGPHAVRLBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF2N5O3/c1-24-8-5-26(6-8)16-12(22)4-9-15(14(16)20)27(7-10(17(9)28)19(29)30)13-3-2-11(21)18(23)25-13/h2-4,7-8,24H,5-6H2,1H3,(H2,23,25)(H,29,30).
What are the key properties of 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid?
1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 480.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoro-2-pyridinyl)-8-bromo-6-fluoro-7-[3-(methylamino)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22121217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).