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Chemical ID: 6849104

Chemical ID:

6849104

Name [?]:

ethyl 4-(2-hydroxyethylamino)-8-methyl-1H-quinoline-3-carboxylate

SMILES [?]:

CCOC(=O)c1c[nH+]c2c(cccc2c1NCCO)C

InChi [?]:

InChI=1/C15H18N2O3/c1-3-20-15(19)12-9-17-13-10(2)5-4-6-11(13)14(12)16-7-8-18/h4-6,9,18H,3,7-8H2,1-2H3,(H,16,17)/p+1

InChi Info:

AuxInfo=1/1/N:1,20,2,12,11,13,17,18,7,10,14,6,9,15,4,16,8,19,5,3/rA:20nCCOCOCCN+CCCCCCCNCCOC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;s16;s17;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉N₂O₃₊
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	-23.2554
Area:	463.575
Solvation:	-34.8448
Coulombic:	-36.8782

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	275.323
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.08
LogP (Chemaxon):	2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value