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

C15H9ClFN3O3 — CID 156848278

IUPAC1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc(-n2cc(C(=O)O)c(=O)c3cc(Cl)c(F)cc32)ccn1
InChIInChI=1S/C15H9ClFN3O3/c16-10-4-8-12(5-11(10)17)20(6-9(14(8)21)15(22)23)7-1-2-19-13(18)3-7/h1-6H,(H2,18,19)(H,22,23)
InChIKeyBIOXXOAYOBZSMN-UHFFFAOYSA-N
MW333.71 g/mol
LogP2.46
Rot. Bonds2

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

1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 156848278) has the molecular formula C15H9ClFN3O3 and a molecular weight of 333.71 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid
PubChem CID156848278
Molecular FormulaC15H9ClFN3O3
Molecular Weight333.71 g/mol
Exact Mass333.03
IUPAC Name1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid
SMILESNc1cc(-n2cc(C(=O)O)c(=O)c3cc(Cl)c(F)cc32)ccn1
InChIInChI=1S/C15H9ClFN3O3/c16-10-4-8-12(5-11(10)17)20(6-9(14(8)21)15(22)23)7-1-2-19-13(18)3-7/h1-6H,(H2,18,19)(H,22,23)
InChIKeyBIOXXOAYOBZSMN-UHFFFAOYSA-N
XLogP2.46
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-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

1-(2-amino-4-pyridinyl)-6-chloro-7-[2-[(3-chloro-6-methoxy-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 156847899
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
6,7-difluoro-1-(4-fluoro-3-nitrophenyl)-4-oxoquinoline-3-carboxylic acid
CID 19090517
7-(2-amino-4-pyridinyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 174358365
6,7-difluoro-4-oxo-1-[3-(triazol-1-ylmethyl)phenyl]quinoline-3-carboxylic acid
CID 151629846
6,7-difluoro-1-(2-fluoro-4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 70457288
7-(3-aminoprop-1-en-2-yl)-6-fluoro-1-(4-hydroxyphenyl)-4-oxoquinoline-3-carboxylic acid
CID 14883375
1-(5-amino-2-fluorophenyl)-7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10893526
7-chloro-6-fluoro-1-(1-methyl-4-nitropyrrol-3-yl)-4-oxoquinoline-3-carboxylic acid
CID 10406553
6-chloro-1-[6-(dimethylamino)-3-pyridinyl]-4-oxoquinoline-3-carboxylic acid
CID 175895801
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143136205
1-(3-chloro-4-hydroxyphenyl)-6-fluoro-4-oxo-7-[2-(pyridin-2-yloxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 156848092

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid (CID 156848278) is 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid is Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(Cl)c(F)cc32)ccn1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid?
The InChIKey is BIOXXOAYOBZSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3O3/c16-10-4-8-12(5-11(10)17)20(6-9(14(8)21)15(22)23)7-1-2-19-13(18)3-7/h1-6H,(H2,18,19)(H,22,23).
What are the key properties of 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid?
1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 333.71 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-6-chloro-7-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 156848278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).