Chemical ID: 4750107

COc1cc2c(cc1OC)ncnc2NC3CCCCC3
Chemical ID:
4750107
Name [?]:
N-cyclohexyl-6,7-dimethoxy-quinazolin-4-amine
SMILES [?]:
COc1cc2c(cc1OC)ncnc2NC3CCCCC3
InChi [?]:
InChI=1/C16H21N3O2/c1-20-14-8-12-13(9-15(14)21-2)17-10-18-16(12)19-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,19,18,20,17,21,4,7,12,16,5,6,3,8,14,11,13,15,2,9/E:(4,5)(6,7)/rA:21nCOCCCCCCOCNCNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s5d13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.36282
Area:480.101
Solvation:-4.6397
Coulombic:-36.157
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.357
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.85
LogP (Chemaxon):2.67

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Descriptor Annotations

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