Chemical ID: 7390033

CCC(c1nc2ccccc2c(=O)n1CCCN3CCOCC3)N4C(=O)c5ccccc5C4=O
Chemical ID:
7390033
Name [?]:
2-[1-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]propyl]isoindoline-1,3-dione
SMILES [?]:
CCC(c1nc2ccccc2c(=O)n1CCCN3CCOCC3)N4C(=O)c5ccccc5C4=O
InChi [?]:
InChI=1/C26H28N4O4/c1-2-22(30-25(32)18-8-3-4-9-19(18)26(30)33)23-27-21-11-6-5-10-20(21)24(31)29(23)13-7-12-28-14-16-34-17-15-28/h3-6,8-11,22H,2,7,12-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,30,9,8,16,28,31,10,7,17,15,19,23,20,22,27,32,11,6,3,4,12,25,33,5,18,14,24,13,26,34,21/E:(3,4)(8,9)(14,15)(16,17)(18,19)(25,26)(32,33)/rA:34cCCCCNCCCCCCCONCCCNCCOCCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;s16;s17;s18;s19;s20;s21;s18s22;s3;s24;d25;s25;s27;d28;s29;d30;d27s31;s24s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N4O4
All Atoms:62
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.7778
Area:662.105
Solvation:-4.77482
Coulombic:-63.477
Bond Count [?]
All:38
Single:28
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:460.525
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.37
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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