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Chemical ID: 5872320
Chemical ID:
5872320
Name [?]:
2-(1-butylaminopropyl)-7-chloro-3-ethyl-quinazolin-4-one
SMILES [?]:
CCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
InChi [?]:
InChI=1/C17H24ClN3O/c1-4-7-10-19-14(5-2)16-20-15-11-12(18)8-9-13(15)17(22)21(16)6-3/h8-9,11,14,19H,4-7,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,2,7,20,3,14,15,4,12,13,16,6,11,9,17,22,5,10,19,18/rA:22cCCCCNCCCCNCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s6;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s9s17;s19;s20;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24ClN3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8247 |
Area: | 542.322 |
Solvation: | -1.73333 |
Coulombic: | -33.3359 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 321.845 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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