TP0480066

CAT: 0013-GTR19187061-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19187061-03Size:100 mg

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Description

TP0480066

CAS Number

2245693-15-4

Field of Research

Infectious Disease & Virology, Molecular Biology

Smiles

N (C) C1=C2C (C (O) =C (C (NC3=CC=C (C (O) =O) C=C3) =O) C (=O) N2) =CC (F) =C1

Molecular Formula

C18H14FN3O5

Molecular Weight

371.32

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid

CAS Number	2245693-15-4
PubChem CID	146313868
IUPAC Name	4-[[6-fluoro-4-hydroxy-8-(methylamino)-2-oxo-1H-quinoline-3-carbonyl]amino]benzoic acid
Molecular Formula	C18H14FN3O5
Molecular Weight	371.3
XLogP	1.9
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	659

SMILES

CNC1=CC(=CC2=C1NC(=O)C(=C2O)C(=O)NC3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C18H14FN3O5/c1-20-12-7-9(19)6-11-14(12)22-17(25)13(15(11)23)16(24)21-10-4-2-8(3-5-10)18(26)27/h2-7,20H,1H3,(H,21,24)(H,26,27)(H2,22,23,25)

InChIKey

ACSDSFPAGHERCC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2245693-15-4

CID: 146313868

Formula: C18H14FN3O5

MW: 371.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.3
XLogP3	1.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	371.09174872
Monoisotopic Mass	371.09174872
Topological Polar Surface Area	128 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	659
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-150045	TP0480066