Chemical ID: 3844828

COc1ccc2c(c1)cc(c(n2)N3CCCC3)C#N
Chemical ID:
3844828
Name [?]:
6-methoxy-2-pyrrolidin-1-yl-quinoline-3-carbonitrile
SMILES [?]:
COc1ccc2c(c1)cc(c(n2)N3CCCC3)C#N
InChi [?]:
InChI=1/C15H15N3O/c1-19-13-4-5-14-11(9-13)8-12(10-16)15(17-14)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,5,14,17,9,8,18,7,10,3,6,11,19,12,13,2/E:(2,3)(6,7)/rA:19nCOCCCCCCCCCNNCCCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;d10;d6s11;s11;s13;s14;s15;s13s16;s10;t18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.9882
Area:438.772
Solvation:-2.98109
Coulombic:-22.9228
Bond Count [?]
All:21
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.299
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):2.99

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Descriptor Annotations

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