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Chemical ID: 4898422
Chemical ID:
4898422
Name [?]:
2-indolin-1-yl-7,8-dihydro-6H-quinazolin-5-one
SMILES [?]:
c1ccc2c(c1)CCN2c3ncc4c(n3)CCCC4=O
InChi [?]:
InChI=1/C16H15N3O/c20-15-7-3-5-13-12(15)10-17-16(18-13)19-9-8-11-4-1-2-6-14(11)19/h1-2,4,6,10H,3,5,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,17,6,16,3,18,7,8,12,5,13,14,4,19,10,11,15,9,20/rA:20nCCCCCCCCNCNCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.31293 |
Area: | 436.612 |
Solvation: | -2.60238 |
Coulombic: | -25.5318 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 265.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.16 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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