ChemDB: Chemical Search
Download
Chemical ID: 4849282
Chemical ID:
4849282
Name [?]:
2-(4-isopropoxyphenyl)-4-(3-methyl-1-piperidyl)-quinazoline
SMILES [?]:
CC1CCCN(C1)c2c3ccccc3nc(n2)c4ccc(cc4)OC(C)C
InChi [?]:
InChI=1/C23H27N3O/c1-16(2)27-19-12-10-18(11-13-19)22-24-21-9-5-4-8-20(21)23(25-22)26-14-6-7-17(3)15-26/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:26,27,1,11,12,4,3,10,13,19,23,20,22,5,7,25,2,18,21,9,14,16,8,15,17,6,24/E:(1,2)(10,11)(12,13)/rA:27cCCCCCNCCCCCCCCNCNCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s16;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 12.0875 |
Area: | 581.021 |
Solvation: | -2.43798 |
Coulombic: | -29.1626 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 361.48 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|