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Chemical ID: 4695566

Chemical ID:

4695566

Name [?]:

6,7-dimethoxy-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

SMILES [?]:

COc1ccc(cc1)CNc2c3cc(c(cc3ncn2)OC)OC

InChi [?]:

InChI=1/C18H19N3O3/c1-22-13-6-4-12(5-7-13)10-19-18-14-8-16(23-2)17(24-3)9-15(14)20-11-21-18/h4-9,11H,10H2,1-3H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,24,22,5,7,4,8,13,16,9,19,6,3,12,17,14,15,11,10,18,20,2,23,21/E:(4,5)(6,7)/rA:24nCOCCCCCCCNCCCCCCCNCNOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s15;s21;s14;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉N₃O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.16179
Area:	539.427
Solvation:	-6.32387
Coulombic:	-43.3594

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	325.362
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.64
LogP (Chemaxon):	2.61

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

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Chemical Mix	Source	External ID	Descriptor	Value