Chemical ID: 4556457

CC1=CC([N+](c2c1ccc(c2)OC)(C)C)(C)C
Chemical ID:
4556457
Name [?]:
7-methoxy-1,1,2,2,4-pentamethyl-quinoline
SMILES [?]:
CC1=CC([N+](c2c1ccc(c2)OC)(C)C)(C)C
InChi [?]:
InChI=1/C15H22NO/c1-11-10-15(2,3)16(4,5)14-9-12(17-6)7-8-13(11)14/h7-10H,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:1,16,17,14,15,13,9,8,11,3,2,10,7,6,4,5,12/E:(2,3)(4,5)/CRV:16+1/rA:17nCCCCN+CCCCCCOCCCCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s10;s12;s5;s5;s4;s4;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22NO+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-16.3113
Area:397.572
Solvation:-26.2506
Coulombic:14.8307
Bond Count [?]
All:18
Single:14
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:232.341
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.55
LogP (Chemaxon):-1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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