Copo 22

CAT: 0926-GZA10183-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GZA10183-03Size:100 mg

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

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CAS Number

606101-83-1

MDL Number

MFCD03860534

Smiles

CC1=CC (=C2C=C (C (=NC2=C1) NCCNC (=O) C3=CC (=CC=C3) OC) C#N) C

Molecular Formula

C22H22N4O2

Molecular Weight

374.4 g/mol

Controlled

Chemical Information

N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide

CAS Number	606101-83-1
PubChem CID	3224090
IUPAC Name	N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-methoxybenzamide
Molecular Formula	C22H22N4O2
Molecular Weight	374.4
XLogP	4.5
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	574

SMILES

CC1=CC(=C2C=C(C(=NC2=C1)NCCNC(=O)C3=CC(=CC=C3)OC)C#N)C

InChI

InChI=1S/C22H22N4O2/c1-14-9-15(2)19-12-17(13-23)21(26-20(19)10-14)24-7-8-25-22(27)16-5-4-6-18(11-16)28-3/h4-6,9-12H,7-8H2,1-3H3,(H,24,26)(H,25,27)

InChIKey

TZGJSWWPNARXQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 606101-83-1

CID: 3224090

Formula: C22H22N4O2

MW: 374.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	374.4
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	374.17427596
Monoisotopic Mass	374.17427596
Topological Polar Surface Area	87 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	574
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
1220950	13mm, FH, Acetal Copo, Swinney