Lomefloxacin Impurity 3

CAT: 1299-RM-L130366-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L130366-01Size:10 mg

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CAS Number

183235-15-6

Synonyms

1-ethyl-6,8-difluoro-7- (3-methylpiperazin-1-yl) quinolin-4 (1H) -one

Molecular Formula

C16H19F2N3O

Molecular Weight

307.34

Target Alternative Name

Lomefloxacin

Product Name Synonym

1-ethyl-6,8-difluoro-7- (3-methylpiperazin-1-yl) quinolin-4 (1H) -one

Chemical Information

1-Ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one

CAS Number	183235-15-6
PubChem CID	23220359
IUPAC Name	1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
Molecular Formula	C16H19F2N3O
Molecular Weight	307.34
XLogP	1.2
Topological Polar Surface Area	35.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	459

SMILES

CCN1C=CC(=O)C2=CC(=C(C(=C21)F)N3CCNC(C3)C)F

InChI

InChI=1S/C16H19F2N3O/c1-3-20-6-4-13(22)11-8-12(17)16(14(18)15(11)20)21-7-5-19-10(2)9-21/h4,6,8,10,19H,3,5,7,9H2,1-2H3

InChIKey

JBKJMRNKAYHBPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 183235-15-6

CID: 23220359

Formula: C16H19F2N3O

MW: 307.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.34
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	307.14961856
Monoisotopic Mass	307.14961856
Topological Polar Surface Area	35.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes