ML367

CAT: 0926-GQA16877-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GQA16877-01Size:10 mg

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

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CAS Number

381168-77-0

Smiles

C1=CC=C2C (=C1) C (=NC (=N2) C3=CC=NC=C3) NC4=CC (=C (C=C4) F) F

Molecular Formula

C19H12F2N4

Molecular Weight

334.32 g/mol

Controlled

Chemical Information

N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine

CAS Number	381168-77-0
PubChem CID	921541
IUPAC Name	N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
Molecular Formula	C19H12F2N4
Molecular Weight	334.3
XLogP	4.2
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	432

SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=NC=C3)NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C19H12F2N4/c20-15-6-5-13(11-16(15)21)23-19-14-3-1-2-4-17(14)24-18(25-19)12-7-9-22-10-8-12/h1-11H,(H,23,24,25)

InChIKey

LBPYNNJXARHGAG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 381168-77-0

CID: 921541

Formula: C19H12F2N4

MW: 334.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.3
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	334.10300272
Monoisotopic Mass	334.10300272
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	432
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
IAD51031-01	ML327
XMB91418-01	ML365