Opc-14523 hydrochloride

CAT: 0926-VFA96931-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-VFA96931-01Size:10 mg

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

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CAS Number

145969-31-9

Smiles

CC1=C (C2=CC=CC=C2N=C1CC3=CC=CC=C3) C (=O) O

Molecular Formula

C23H29Cl2N3O2

Molecular Weight

450.4 g/mol

Controlled

Chemical Information

OPC-14523 hydrochloride

CAS Number	145969-31-9
PubChem CID	19027727
IUPAC Name	1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-3,4-dihydroquinolin-2-one;hydrochloride
Molecular Formula	C23H29Cl2N3O2
Molecular Weight	450.4
Topological Polar Surface Area	36
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	540

SMILES

COC1=CC=CC2=C1CCC(=O)N2CCCN3CCN(CC3)C4=CC(=CC=C4)Cl.Cl

InChI

InChI=1S/C23H28ClN3O2.ClH/c1-29-22-8-3-7-21-20(22)9-10-23(28)27(21)12-4-11-25-13-15-26(16-14-25)19-6-2-5-18(24)17-19;/h2-3,5-8,17H,4,9-16H2,1H3;1H

InChIKey

SFOVXVXPFWJNBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145969-31-9

CID: 19027727

Formula: C23H29Cl2N3O2

MW: 450.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	450.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	449.1636826
Monoisotopic Mass	449.1636826
Topological Polar Surface Area	36 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	540
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	2
Compound Is Canonicalized	Yes

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