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Chemical ID: 5872413
Chemical ID:
5872413
Name [?]:
7-chloro-3-ethyl-2-(1-hexylaminopropyl)quinazolin-4-one
SMILES [?]:
CCCCCCNC(CC)c1nc2cc(ccc2c(=O)n1CC)Cl
InChi [?]:
InChI=1/C19H28ClN3O/c1-4-7-8-9-12-21-16(5-2)18-22-17-13-14(20)10-11-15(17)19(24)23(18)6-3/h10-11,13,16,21H,4-9,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,10,23,2,9,22,3,4,5,16,17,6,14,15,18,8,13,11,19,24,7,12,21,20/rA:24cCCCCCCNCCCCNCCCCCCCONCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s8;d11;s12;s13;d14;s15;d16;d13s17;s18;d19;s11s19;s21;s22;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28ClN3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1426 |
Area: | 594.831 |
Solvation: | -1.72822 |
Coulombic: | -33.945 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 349.898 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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