Chemical ID: 5875477

CCCCC(=O)N(CCc1ccccc1)C(CC)c2nc3ccccc3c(=O)n2c4ccc(cc4)OC
Chemical ID:
5875477
Name [?]:
N-[1-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]propyl]-N-phenethyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CCc1ccccc1)C(CC)c2nc3ccccc3c(=O)n2c4ccc(cc4)OC
InChi [?]:
InChI=1/C31H35N3O3/c1-4-6-16-29(35)33(22-21-23-12-8-7-9-13-23)28(5-2)30-32-27-15-11-10-14-26(27)31(36)34(30)24-17-19-25(37-3)20-18-24/h7-15,17-20,28H,4-6,16,21-22H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,37,2,17,3,13,12,14,24,23,11,15,25,22,4,31,35,32,34,9,8,10,30,33,26,21,16,5,19,27,20,7,29,6,28,36/E:(8,9)(12,13)(17,18)(19,20)/rA:37cCCCCCONCCCCCCCCCCCCNCCCCCCCONCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s7;s16;s17;s16;d19;s20;s21;d22;s23;d24;d21s25;s26;d27;s19s27;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H35N3O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:13.8559
Area:733.088
Solvation:-4.47135
Coulombic:-49.2022
Bond Count [?]
All:40
Single:28
Double:12
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:497.628
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.01
LogP (Chemaxon):5.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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