Chemical ID: 3965354

CN(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC
Chemical ID:
3965354
Name [?]:
N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide
SMILES [?]:
CN(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC
InChi [?]:
InChI=1/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,28,11,4,10,5,3,12,20,17,21,16,9,19,18,22,7,14,24,6,15,23,2,8,25,27,13/rA:28cCNCCCNCOCCCCOCNCCCCCCCNNOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s9s12;s2;s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;s22;s19;s25;s18;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H27N5O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:7.81912
Area:633.478
Solvation:-8.01783
Coulombic:-76.7815
Bond Count [?]
All:30
Single:24
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:389.449
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.44
LogP (Chemaxon):1.0

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Descriptor Annotations

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