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

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

Launch Full Analysis

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).