Chemical ID: 4520614

CCc1nc2ccccc2c(=O)n1CCCCn3c(nc4ccccc4c3=O)CC
Chemical ID:
4520614
Name [?]:
2-ethyl-3-[4-(2-ethyl-4-oxo-quinazolin-3-yl)butyl]quinazolin-4-one
SMILES [?]:
CCc1nc2ccccc2c(=O)n1CCCCn3c(nc4ccccc4c3=O)CC
InChi [?]:
InChI=1/C24H26N4O2/c1-3-21-25-19-13-7-5-11-17(19)23(29)27(21)15-9-10-16-28-22(4-2)26-20-14-8-6-12-18(20)24(28)30/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,2,29,8,24,7,23,15,16,9,25,6,22,14,17,10,26,5,21,3,19,11,27,4,20,13,18,12,28/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCCCNCCCCCCCONCCCCNCNCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s13;s14;s15;s16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;s18s26;d27;s19;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.0746
Area:640.588
Solvation:-2.94011
Coulombic:-45.8825
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.489
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.16
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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