PQ401

CAT: 0127-BUP10782-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10782-03Size:25 mg

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

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CAS Number

196868-63-0

Synonyms

IGF-1R Inhibitor II

Purity

=98%

Smiles

COc1ccc(Cl)cc1NC(=O)Nc1cc(C)nc2ccccc12

Chemical Information

PQ-401

1-(5-chloro-2-methoxyphenyl)-3-(2-methyl-4-quinolinyl)urea is a member of quinolines.

CAS Number	196868-63-0
PubChem CID	9549305
IUPAC Name	1-(5-chloro-2-methoxyphenyl)-3-(2-methylquinolin-4-yl)urea
Molecular Formula	C18H16ClN3O2
Molecular Weight	341.8
XLogP	3.8
Topological Polar Surface Area	63.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	436

SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C18H16ClN3O2/c1-11-9-15(13-5-3-4-6-14(13)20-11)21-18(23)22-16-10-12(19)7-8-17(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)

InChIKey

YBLWOZUPHDKFOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 196868-63-0

CID: 9549305

Formula: C18H16ClN3O2

MW: 341.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.8
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	341.0931045
Monoisotopic Mass	341.0931045
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	436
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