ML418

CAT: 0607-BA6878-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6878-50Size:50 mg

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

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CAS Number

1928763-08-9

Form

A solid

Molecular Formula

C19H24ClN3O3

Molecular Weight

377.87

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Isopropyl (1-((5-chloro-8-hydroxyquinolin-7-yl)methyl)piperidin-4-yl)carbamate

CAS Number	1928763-08-9
PubChem CID	91667465
IUPAC Name	propan-2-yl N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]carbamate
Molecular Formula	C19H24ClN3O3
Molecular Weight	377.9
XLogP	3.4
Topological Polar Surface Area	74.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	471

SMILES

CC(C)OC(=O)NC1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl

InChI

InChI=1S/C19H24ClN3O3/c1-12(2)26-19(25)22-14-5-8-23(9-6-14)11-13-10-16(20)15-4-3-7-21-17(15)18(13)24/h3-4,7,10,12,14,24H,5-6,8-9,11H2,1-2H3,(H,22,25)

InChIKey

CWIXCQOSULUGBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1928763-08-9

CID: 91667465

Formula: C19H24ClN3O3

MW: 377.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.9
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	377.1506193
Monoisotopic Mass	377.1506193
Topological Polar Surface Area	74.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	471
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