Chemical ID: 4154341

c1ccc2c(c1)c(nc(n2)c3ccc(cc3)[N+](=O)[O-])N4CCCCC4
Chemical ID:
4154341
Name [?]:
2-(4-nitrophenyl)-4-(1-piperidyl)quinazoline
SMILES [?]:
c1ccc2c(c1)c(nc(n2)c3ccc(cc3)[N+](=O)[O-])N4CCCCC4
InChi [?]:
InChI=1/C19H18N4O2/c24-23(25)15-10-8-14(9-11-15)18-20-17-7-3-2-6-16(17)19(21-18)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2
InChi Info:
AuxInfo=1/0/N:23,1,2,22,24,6,3,12,16,13,15,21,25,11,14,5,4,9,7,10,8,20,17,18,19/E:(4,5)(8,9)(10,11)(12,13)(24,25)/CRV:23.5/rA:25nCCCCCCCNCNCCCCCCN+OO-NCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;d17;s17;s7;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.38527
Area:528.482
Solvation:-6.82677
Coulombic:-32.4297
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.372
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):4.99

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Descriptor Annotations

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