Chemical ID: 6697391

CCOc1ccc(cc1)n2c(nc3ccccc3c2=O)C
Chemical ID:
6697391
Name [?]:
3-(4-ethoxyphenyl)-2-methyl-quinazolin-4-one
SMILES [?]:
CCOc1ccc(cc1)n2c(nc3ccccc3c2=O)C
InChi [?]:
InChI=1/C17H16N2O2/c1-3-21-14-10-8-13(9-11-14)19-12(2)18-16-7-5-4-6-15(16)17(19)20/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,16,15,17,14,6,8,5,9,11,7,4,18,13,19,12,10,20,3/E:(8,9)(10,11)/rA:21nCCOCCCCCCNCNCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;d19;s11;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.78359
Area:469.767
Solvation:-2.96059
Coulombic:-29.9539
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:280.321
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):2.67

Name Annotations

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Descriptor Annotations

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