ML314

CAT: 0926-YHC89509-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-YHC89509-01Size:25 mg

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

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CAS Number

1448895-09-7

MDL Number

MFCD28009370

Smiles

COC1=CC=CC=C1N2CCN (CC2) C3=NC (=NC4=CC (=C (C=C43) OC) OC) C5CC5

Molecular Formula

C24H28N4O3

Molecular Weight

420.5 g/mol

Controlled

Chemical Information

2-Cyclopropyl-6,7-dimethoxy-4-(4-(2-methoxyphenyl)piperazin-1-yl)quinazoline

CAS Number	1448895-09-7
PubChem CID	53245590
IUPAC Name	2-cyclopropyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
Molecular Formula	C24H28N4O3
Molecular Weight	420.5
XLogP	4.1
Topological Polar Surface Area	60
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	583

SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5

InChI

InChI=1S/C24H28N4O3/c1-29-20-7-5-4-6-19(20)27-10-12-28(13-11-27)24-17-14-21(30-2)22(31-3)15-18(17)25-23(26-24)16-8-9-16/h4-7,14-16H,8-13H2,1-3H3

InChIKey

SWEOAXMICIJCQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1448895-09-7

CID: 53245590

Formula: C24H28N4O3

MW: 420.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	420.5
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	420.21614077
Monoisotopic Mass	420.21614077
Topological Polar Surface Area	60 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	583
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