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Chemical ID: 4156664
Chemical ID:
4156664
Name [?]:
ethyl 4-(2-hydroxypropylamino)quinoline-3-carboxylate
SMILES [?]:
CCOC(=O)c1cnc2ccccc2c1NCC(C)O
InChi [?]:
InChI=1/C15H18N2O3/c1-3-20-15(19)12-9-16-13-7-5-4-6-11(13)14(12)17-8-10(2)18/h4-7,9-10,18H,3,8H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,2,12,11,13,10,17,7,18,14,6,9,15,4,8,16,20,5,3/rA:20cCCOCOCCNCCCCCCCNCCCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.34678 |
Area: | 467.627 |
Solvation: | -4.34389 |
Coulombic: | -51.6786 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.315 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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