CP-673451 100mg

CAT: 0628-A11350-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A11350-100Size:100 mg

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CAS Number

343787-29-1

Chemical Information

CP-673451

1-[2-[5-(2-methoxyethoxy)-1-benzimidazolyl]-8-quinolinyl]-4-piperidinamine is an aminoquinoline.

CAS Number	343787-29-1
PubChem CID	10158940
IUPAC Name	1-[2-[5-(2-methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]piperidin-4-amine
Molecular Formula	C24H27N5O2
Molecular Weight	417.5
XLogP	3.3
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	572

SMILES

COCCOC1=CC2=C(C=C1)N(C=N2)C3=NC4=C(C=CC=C4N5CCC(CC5)N)C=C3

InChI

InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3

InChIKey

DEEOXSOLTLIWMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 343787-29-1

CID: 10158940

Formula: C24H27N5O2

MW: 417.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	417.5
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	417.21647512
Monoisotopic Mass	417.21647512
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	572
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
B1337-1	CP-673451
MBS132201-01	CP 673451