UBCS039

CAT: 0926-IPA72170-03Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-IPA72170-03Size:100 mg

Selected

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

Quick Request Actions

CAS Number

358721-70-7

Smiles

C1=CC=C2C (=C1) NC (C3=CC=CN32) C4=CN=CC=C4

Molecular Formula

C16H13N3

Molecular Weight

247.29 g/mol

Controlled

Chemical Information

4-(Pyridin-3-yl)-4,5-dihydropyrrolo[1,2-a]quinoxaline

CAS Number	358721-70-7
PubChem CID	2803797
IUPAC Name	4-pyridin-3-yl-4,5-dihydropyrrolo[1,2-a]quinoxaline
Molecular Formula	C16H13N3
Molecular Weight	247.29
XLogP	2.5
Topological Polar Surface Area	29.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	319

SMILES

C1=CC=C2C(=C1)NC(C3=CC=CN32)C4=CN=CC=C4

InChI

InChI=1S/C16H13N3/c1-2-7-14-13(6-1)18-16(12-5-3-9-17-11-12)15-8-4-10-19(14)15/h1-11,16,18H

InChIKey

BSOBGTYXYGHUTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 358721-70-7

CID: 2803797

Formula: C16H13N3

MW: 247.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.29
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.110947427
Monoisotopic Mass	247.110947427
Topological Polar Surface Area	29.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes