Chemical ID: 3900611

Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3cccnc3)C(=O)c4ccco4
Chemical ID:
3900611
Name [?]:
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-pyridylmethyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)cc(c(=O)[nH]2)CN(Cc3cccnc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C22H19N3O3/c1-15-6-7-19-17(10-15)11-18(21(26)24-19)14-25(13-16-4-2-8-23-12-16)22(27)20-5-3-9-28-20/h2-12H,13-14H2,1H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,18,26,17,25,3,4,19,27,7,8,21,15,13,2,16,6,9,5,24,10,22,20,12,14,11,23,28/rA:28nCCCCCCCCCCONCNCCCCCNCCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s9;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6363
Area:564.757
Solvation:-3.48264
Coulombic:-53.0195
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.01
LogP (Chemaxon):2.74

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Descriptor Annotations

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