MMV085203

CAT: 0013-GTR19208710-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19208710-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

MMV085203

CAS Number

385419-89-6

Smiles

N (C1=C (C (=O) C=2C (C1=O) =CC=CC2) N3CCCCC3) C4=C (OC) C=CC=C4

Molecular Formula

C22H22N2O3

Molecular Weight

362.42

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-(2-Methoxyanilino)-3-piperidin-1-ylnaphthalene-1,4-dione

CAS Number	385419-89-6
PubChem CID	1388836
IUPAC Name	2-(2-methoxyanilino)-3-piperidin-1-ylnaphthalene-1,4-dione
Molecular Formula	C22H22N2O3
Molecular Weight	362.4
XLogP	4.3
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	609

SMILES

COC1=CC=CC=C1NC2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCC4

InChI

InChI=1S/C22H22N2O3/c1-27-18-12-6-5-11-17(18)23-19-20(24-13-7-2-8-14-24)22(26)16-10-4-3-9-15(16)21(19)25/h3-6,9-12,23H,2,7-8,13-14H2,1H3

InChIKey

SKHLQEYQHYUBHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 385419-89-6

CID: 1388836

Formula: C22H22N2O3

MW: 362.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	362.4
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	362.16304257
Monoisotopic Mass	362.16304257
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	609
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
T71841-01	MMV085203