ChemDB: Chemical Search
Download
Chemical ID: 4586994
Chemical ID:
4586994
Name [?]:
4-hydroxy-2-oxo-N-(4-oxo-2-propyl-quinazolin-3-yl)-1H-quinoline-3-carboxamide
SMILES [?]:
CCCc1nc2ccccc2c(=O)n1NC(=O)c3c(c4ccccc4[nH]c3=O)O
InChi [?]:
InChI=1/C21H18N4O4/c1-2-7-16-22-15-11-6-4-9-13(15)21(29)25(16)24-20(28)17-18(26)12-8-3-5-10-14(12)23-19(17)27/h3-6,8-11H,2,7H2,1H3,(H,24,28)(H2,23,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,22,9,23,8,3,21,10,24,7,20,11,25,6,4,18,19,27,16,12,5,26,15,14,29,28,17,13/rA:29nCCCCNCCCCCCCONNCOCCCCCCCCNCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s16;d18;s19;s20;d21;s22;d23;d20s24;s25;s18s26;d27;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N4O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3243 |
Area: | 579.829 |
Solvation: | -4.17137 |
Coulombic: | -74.8732 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.392 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.16 |
LogP (Chemaxon): | 1.72 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|