VEGFR-2-IN-29

CAT: 0127-BUP03588-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03588-01Size:5 mg

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

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CAS Number

62802-77-1

Purity

=98%

Smiles

[O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc2cccnc12

Chemical Information

3-nitro-N-(quinolin-8-yl)benzamide

CAS Number	62802-77-1
PubChem CID	657169
IUPAC Name	3-nitro-N-quinolin-8-ylbenzamide
Molecular Formula	C16H11N3O3
Molecular Weight	293.28
XLogP	3.4
Topological Polar Surface Area	87.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	423

SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H11N3O3/c20-16(12-5-1-7-13(10-12)19(21)22)18-14-8-2-4-11-6-3-9-17-15(11)14/h1-10H,(H,18,20)

InChIKey

IGPIXGIGDVQTEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62802-77-1

CID: 657169

Formula: C16H11N3O3

MW: 293.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.28
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	293.08004122
Monoisotopic Mass	293.08004122
Topological Polar Surface Area	87.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	423
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