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Chemical ID: 6834535

Chemical ID:

6834535

Name [?]:

4-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-2-phenyl-quinazoline

SMILES [?]:

C[NH+]1CCN(CC1)c2c3ccccc3nc(n2)c4ccccc4

InChi [?]:

InChI=1/C19H20N4/c1-22-11-13-23(14-12-22)19-16-9-5-6-10-17(16)20-18(21-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1

InChi Info:

AuxInfo=1/1/N:1,21,20,22,11,12,19,23,10,13,3,7,4,6,18,9,14,16,8,15,17,2,5/E:(3,4)(7,8)(11,12)(13,14)/rA:23nCN+CCNCCCCCCCCCNCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;d8s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₄₊
All Atoms:	44
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	-19.7659
Area:	497.095
Solvation:	-32.1932
Coulombic:	8.4378

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	305.397
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.69
LogP (Chemaxon):	4.12

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