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Chemical ID: 6849062

C[NH+](C)CCCNc1c2ccccc2nc(n1)c3ccc(cc3)OC

Chemical ID:

6849062

Name [?]:

3-[2-(4-methoxyphenyl)quinazolin-4-yl]aminopropyl-dimethyl-ammonium

SMILES [?]:

C[NH+](C)CCCNc1c2ccccc2nc(n1)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H24N4O/c1-24(2)14-6-13-21-20-17-7-4-5-8-18(17)22-19(23-20)15-9-11-16(25-3)12-10-15/h4-5,7-12H,6,13-14H2,1-3H3,(H,21,22,23)/p+1

InChi Info:

AuxInfo=1/1/N:1,3,25,11,12,5,10,13,19,23,20,22,6,4,18,21,9,14,16,8,7,15,17,2,24/E:(1,2)(9,10)(11,12)/rA:25nCN+CCCCNCCCCCCCNCNCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₄O+
All Atoms:	50
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.0965
Area:	576.159
Solvation:	-34.5005
Coulombic:	-2.35956

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	337.439
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	3.61
LogP (Chemaxon):	3.41

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