Chemical ID: 4849282

CC1CCCN(C1)c2c3ccccc3nc(n2)c4ccc(cc4)OC(C)C
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue