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Chemical ID: 4695583

Chemical ID:

4695583

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-quinazolin-4-amine

SMILES [?]:

COc1ccc(cc1OC)CCNc2c3cc(c(cc3ncn2)OC)OC

InChi [?]:

InChI=1/C20H23N3O4/c1-24-16-6-5-13(9-17(16)25-2)7-8-21-20-14-10-18(26-3)19(27-4)11-15(14)22-12-23-20/h5-6,9-12H,7-8H2,1-4H3,(H,21,22,23)

InChi Info:

AuxInfo=1/1/N:1,10,27,25,5,4,11,12,7,16,19,22,6,15,20,3,8,17,18,14,13,21,23,2,9,26,24/rA:27nCOCCCCCCOCCCNCCCCCCCNCNOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;d14s22;s18;s24;s17;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O₄
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	6.36642
Area:	601.142
Solvation:	-8.66212
Coulombic:	-49.5164

Bond Count [?]

All:	29
Single:	21
Double:	8
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	369.414
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.45
LogP (Chemaxon):	2.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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