Chemical ID: 4159374

c1ccc2c(c1)c(ncn2)NCCCCCO
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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