M2N12

CAT: 0926-BVD57706-04Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-BVD57706-04Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2376577-06-7

Smiles

CC1=CC=C (C=C1) CN2C=C (N=N2) CNC3=C (C (=O) C4=C (C3=O) N=CC=C4) Cl

Molecular Formula

C20H16ClN5O2

Molecular Weight

393.8 g/mol

Controlled

Chemical Information

CID 139600304

CAS Number	2376577-06-7
PubChem CID	139600304
IUPAC Name	6-chloro-7-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methylamino]quinoline-5,8-dione
Molecular Formula	C20H16ClN5O2
Molecular Weight	393.8
XLogP	3
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	647

SMILES

CC1=CC=C(C=C1)CN2C=C(N=N2)CNC3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3

InChIKey

BDBIMDYALUJAPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2376577-06-7

CID: 139600304

Formula: C20H16ClN5O2

MW: 393.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.8
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	393.0992525
Monoisotopic Mass	393.0992525
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	647
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
BA3837-1	M2N12