PBRM1-BD2-IN-7

CAT: 0607-BA4757-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4757-1Size:1 mg

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CAS Number

2819989-68-7

Molecular Formula

C16H15ClN2O

Molecular Weight

286.76

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pbrm1-BD2-IN-7

CAS Number	2819989-68-7
PubChem CID	164880779
IUPAC Name	5-chloro-2-(2,6-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Molecular Formula	C16H15ClN2O
Molecular Weight	286.75
XLogP	3.9
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	365

SMILES

CC1=C(C(=CC=C1)C)C2NC3=C(C(=CC=C3)Cl)C(=O)N2

InChI

InChI=1S/C16H15ClN2O/c1-9-5-3-6-10(2)13(9)15-18-12-8-4-7-11(17)14(12)16(20)19-15/h3-8,15,18H,1-2H3,(H,19,20)

InChIKey

OKLYBCNMVQMCRF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2819989-68-7

CID: 164880779

Formula: C16H15ClN2O

MW: 286.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.75
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	286.0872908
Monoisotopic Mass	286.0872908
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	365
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