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Chemical ID: 4567211

CCOc1cc2c(cc1OC)c(nc(n2)c3ccc(c(c3)OC)OC)N4CCCC4

Chemical ID:

4567211

Name [?]:

2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-pyrrolidin-1-yl-quinazoline

SMILES [?]:

CCOc1cc2c(cc1OC)c(nc(n2)c3ccc(c(c3)OC)OC)N4CCCC4

InChi [?]:

InChI=1/C23H27N3O4/c1-5-30-21-14-17-16(13-20(21)29-4)23(26-10-6-7-11-26)25-22(24-17)15-8-9-18(27-2)19(12-15)28-3/h8-9,12-14H,5-7,10-11H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,25,23,11,2,28,29,17,18,27,30,21,8,5,16,7,6,19,20,9,4,14,12,15,13,26,24,22,10,3/E:(6,7)(10,11)/rA:30nCCOCCCCCCOCCNCNCCCCCCOCOCNCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s13;s6d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s12;s26;s27;s28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	8.09316
Area:	633.28
Solvation:	-7.73884
Coulombic:	-46.2991

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	409.478
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.1
LogP (Chemaxon):	3.98

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