Chemical ID: 4154731

CCOC(=O)c1cnc2c(cccc2c1Nc3ccc(c(c3)C)C)C
Chemical ID:
4154731
Name [?]:
ethyl 4-(3,4-dimethylphenyl)amino-8-methyl-quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2c(cccc2c1Nc3ccc(c(c3)C)C)C
InChi [?]:
InChI=1/C21H22N2O2/c1-5-25-21(24)18-12-22-19-14(3)7-6-8-17(19)20(18)23-16-10-9-13(2)15(4)11-16/h6-12H,5H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,2,12,11,13,19,18,22,7,20,10,21,17,14,6,9,15,4,8,16,5,3/rA:25nCCOCOCCNCCCCCCCNCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.513
Area:549.609
Solvation:-2.22724
Coulombic:-37.2674
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.412
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.22
LogP (Chemaxon):5.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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