NCGC00229600

CAT: 0607-BA5829-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5829-5Size:5 mg

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CAS Number

1338824-20-6

Form

A solid

Molecular Formula

C30H29N3O3

Molecular Weight

479.57

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-[3-[(2,6-Dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one

2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one is a member of quinazolines.

CAS Number	1338824-20-6
PubChem CID	50897816
IUPAC Name	2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
Molecular Formula	C30H29N3O3
Molecular Weight	479.6
XLogP	5.4
Topological Polar Surface Area	63.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	36
Formal Charge	0
Complexity	710

SMILES

CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5)OC

InChI

InChI=1S/C30H29N3O3/c1-20-8-6-9-21(2)28(20)36-19-24-16-23(13-14-27(24)35-3)29-32-26-12-5-4-11-25(26)30(34)33(29)18-22-10-7-15-31-17-22/h4-17,29,32H,18-19H2,1-3H3

InChIKey

ODFGSMOTQLYMHU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1338824-20-6

CID: 50897816

Formula: C30H29N3O3

MW: 479.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	479.6
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	479.22089180
Monoisotopic Mass	479.22089180
Topological Polar Surface Area	63.7 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	710
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

Alternative Products

Catalog	Name
HY-18286-01	NCGC00229600

NCGC00229600

Chemical Information

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