IM-491

CAT: 0013-GTR19210421-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210421-02Size:50 mg

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Description

IM-491

CAS Number

252918-63-1

Smiles

C (OC1=CC=C (NC (=O) [C@@H]2[C@@H] (C (NO) =O) CCCN2C) C=C1) C=3C4=C (N=C (C) C3) C=CC=C4

Molecular Formula

C25H28N4O4

Molecular Weight

448.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

IM-491

CAS Number	252918-63-1
PubChem CID	9889867
IUPAC Name	(2S,3S)-3-N-hydroxy-1-methyl-2-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]piperidine-2,3-dicarboxamide
Molecular Formula	C25H28N4O4
Molecular Weight	448.5
XLogP	2.6
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	669

SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)NC(=O)[C@@H]4[C@H](CCCN4C)C(=O)NO

InChI

InChI=1S/C25H28N4O4/c1-16-14-17(20-6-3-4-8-22(20)26-16)15-33-19-11-9-18(10-12-19)27-25(31)23-21(24(30)28-32)7-5-13-29(23)2/h3-4,6,8-12,14,21,23,32H,5,7,13,15H2,1-2H3,(H,27,31)(H,28,30)/t21-,23-/m0/s1

InChIKey

RJSKOAOWDAMMHR-GMAHTHKFSA-N

Chemical Structure

2D Structure

CAS: 252918-63-1

CID: 9889867

Formula: C25H28N4O4

MW: 448.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	448.5
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	448.21105539
Monoisotopic Mass	448.21105539
Topological Polar Surface Area	104 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	669
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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