Chemical ID: 5872632

CCOc1ccccc1n2c(=O)c3ccccc3nc2C(C)NCC(C)C
Chemical ID:
5872632
Name [?]:
3-(2-ethoxyphenyl)-2-(1-isobutylaminoethyl)quinazolin-4-one
SMILES [?]:
CCOc1ccccc1n2c(=O)c3ccccc3nc2C(C)NCC(C)C
InChi [?]:
InChI=1/C22H27N3O2/c1-5-27-20-13-9-8-12-19(20)25-21(16(4)23-14-15(2)3)24-18-11-7-6-10-17(18)22(25)26/h6-13,15-16,23H,5,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,27,22,2,15,16,7,6,14,17,8,5,24,25,21,13,18,9,4,20,11,23,19,10,12,3/E:(2,3)/rA:27cCCOCCCCCCNCOCCCCCCNCCCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s10d19;s20;s21;s21;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H27N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.2094
Area:589.613
Solvation:-3.53092
Coulombic:-40.6935
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.469
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.93

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Descriptor Annotations

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