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Chemical ID: 4159374
Chemical ID:
4159374
Name [?]:
5-quinazolin-4-ylaminopentan-1-ol
SMILES [?]:
c1ccc2c(c1)c(ncn2)NCCCCCO
InChi [?]:
InChI=1/C13H17N3O/c17-9-5-1-4-8-14-13-11-6-2-3-7-12(11)15-10-16-13/h2-3,6-7,10,17H,1,4-5,8-9H2,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:14,1,2,13,15,6,3,12,16,9,5,4,7,11,10,8,17/rA:17nCCCCCCCNCNNCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s7;s11;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31328 |
Area: | 445.332 |
Solvation: | -2.82002 |
Coulombic: | -40.2036 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.294 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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