Chemical ID: 4586994

CCCc1nc2ccccc2c(=O)n1NC(=O)c3c(c4ccccc4[nH]c3=O)O
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

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Descriptor Annotations

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