LUF6096

CAT: 0127-BUP16142-03Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP16142-03Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1116652-18-6

Synonyms

CF-602

Purity

=98%

Smiles

Clc1ccc(Nc2cc(NC(=O)C3CCCCC3)c3ccccc3n2)cc1Cl

Chemical Information

Cyclohexanecarboxamide, N-(2-((3,4-dichlorophenyl)amino)-4-quinolinyl)-

CAS Number	1116652-18-6
PubChem CID	25191023
IUPAC Name	N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
Molecular Formula	C22H21Cl2N3O
Molecular Weight	414.3
XLogP	6.6
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	528

SMILES

C1CCC(CC1)C(=O)NC2=CC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)

InChIKey

UWEIQVQNNLVOEI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1116652-18-6

CID: 25191023

Formula: C22H21Cl2N3O

MW: 414.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.3
XLogP3	6.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	413.1061677
Monoisotopic Mass	413.1061677
Topological Polar Surface Area	54 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	528
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
MBS5801388	LUF6096