DL5H3

CAT: 0127-BUP03526-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03526-01Size:5 mg

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CAS Number

90263-34-6

Synonyms

DL 5H3, DL5H 3, DL5-H3, DL5 H3, DL-5H3

Purity

=95%

Smiles

C(=C1C=2N(C(=O)C=3C(N2)=CC(NC(CCN4CCCCC4)=O)=CC3)CC1)C5=CC=CC=C5

Chemical Information

N-(3-benzylidene-9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-6-yl)-3-(piperidin-1-yl)propanamide

CAS Number	90263-34-6
PubChem CID	13282351
IUPAC Name	N-[(3E)-3-benzylidene-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazolin-6-yl]-3-piperidin-1-ylpropanamide
Molecular Formula	C26H28N4O2
Molecular Weight	428.5
XLogP	3
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	764

SMILES

C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N4CC/C(=C\C5=CC=CC=C5)/C4=N3

InChI

InChI=1S/C26H28N4O2/c31-24(12-15-29-13-5-2-6-14-29)27-21-9-10-22-23(18-21)28-25-20(11-16-30(25)26(22)32)17-19-7-3-1-4-8-19/h1,3-4,7-10,17-18H,2,5-6,11-16H2,(H,27,31)/b20-17+

InChIKey

IKZNFIXEWJBYCF-LVZFUZTISA-N

Chemical Structure

2D Structure

CAS: 90263-34-6

CID: 13282351

Formula: C26H28N4O2

MW: 428.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	428.5
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	428.22122615
Monoisotopic Mass	428.22122615
Topological Polar Surface Area	65 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	764
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19244126-01	DL5H3

DL5H3

Chemical Information

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