Chemical ID: 4156664

CCOC(=O)c1cnc2ccccc2c1NCC(C)O
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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