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Chemical ID: 4880261
Chemical ID:
4880261
Name [?]:
3-(2,4-dimethylphenyl)-2-propyl-quinazolin-4-one
SMILES [?]:
CCCc1nc2ccccc2c(=O)n1c3ccc(cc3C)C
InChi [?]:
InChI=1/C19H20N2O/c1-4-7-18-20-16-9-6-5-8-15(16)19(22)21(18)17-11-10-13(2)12-14(17)3/h5-6,8-12H,4,7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,9,8,3,10,7,17,16,19,18,20,11,6,15,4,12,5,14,13/rA:22nCCCCNCCCCCCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6229 |
Area: | 491.087 |
Solvation: | -1.65424 |
Coulombic: | -24.142 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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