Chemical ID: 5567093

CCC(C)N=C(C)c1c(c2ccccc2n(c1=O)c3ccccc3)O
Chemical ID:
5567093
Name [?]:
4-hydroxy-1-phenyl-3-(1-sec-butyliminoethyl)quinolin-2-one
SMILES [?]:
CCC(C)N=C(C)c1c(c2ccccc2n(c1=O)c3ccccc3)O
InChi [?]:
InChI=1/C21H22N2O2/c1-4-14(2)22-15(3)19-20(24)17-12-8-9-13-18(17)23(21(19)25)16-10-6-5-7-11-16/h5-14,24H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,4,7,2,22,21,23,12,13,20,24,11,14,3,6,19,10,15,8,9,17,5,16,25,18/E:(6,7)(10,11)/rA:25cCCCCNCCCCCCCCCCNCOCCCCCCO/rB:s1;s2;s3;s3;w5;s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;d17;s16;s19;d20;s21;d22;d19s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.0336
Area:533.769
Solvation:-3.31065
Coulombic:-39.1636
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:334.412
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.14
LogP (Chemaxon):4.26

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