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Chemical ID: 7455965

Chemical ID:

7455965

Name [?]:

2-(p-tolylamino)-5,6,7,8-tetrahydroquinazolin-4-ol

SMILES [?]:

Cc1ccc(cc1)Nc2nc3c(c(n2)O)CCCC3

InChi [?]:

InChI=1/C15H17N3O/c1-10-6-8-11(9-7-10)16-15-17-13-5-3-2-4-12(13)14(19)18-15/h6-9H,2-5H2,1H3,(H2,16,17,18,19)

InChi Info:

AuxInfo=1/1/N:1,17,18,16,19,3,7,4,6,2,5,12,11,13,9,8,10,14,15/E:(6,7)(8,9)/rA:19nCCCCCCCNCNCCCNOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s13;s12;s16;s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇N₃O
All Atoms:	36
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	8.80303
Area:	434.86
Solvation:	-2.06846
Coulombic:	-40.71

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	255.315
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.35
LogP (Chemaxon):	3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value