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Chemical ID: 4152992
Chemical ID:
4152992
Name [?]:
2-(3-pyridyl)quinazolin-4-ol
SMILES [?]:
c1ccc2c(c1)c(nc(n2)c3cccnc3)O
InChi [?]:
InChI=1/C13H9N3O/c17-13-10-5-1-2-6-11(10)15-12(16-13)9-4-3-7-14-8-9/h1-8H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,12,6,3,14,16,11,5,4,9,7,15,10,8,17/rA:17nCCCCCCCNCNCCCCNCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s7;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.55993 |
Area: | 393.346 |
Solvation: | -2.27372 |
Coulombic: | -34.1442 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.23 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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