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Chemical ID: 4633080

Chemical ID:

4633080

Name [?]:

N-cyclohexyl-2-(4-propoxyphenyl)-quinazolin-4-amine

SMILES [?]:

CCCOc1ccc(cc1)c2nc3ccccc3c(n2)NC4CCCCC4

InChi [?]:

InChI=1/C23H27N3O/c1-2-16-27-19-14-12-17(13-15-19)22-25-21-11-7-6-10-20(21)23(26-22)24-18-8-4-3-5-9-18/h6-7,10-15,18H,2-5,8-9,16H2,1H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,25,24,26,16,15,23,27,17,14,7,9,6,10,3,8,22,5,18,13,11,19,21,12,20,4/E:(4,5)(8,9)(12,13)(14,15)/rA:27nCCCOCCCCCCCNCCCCCCCNNCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s15;d16;s13s17;d18;d11s19;s19;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₇N₃O
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5501
Area:	601.559
Solvation:	-2.48883
Coulombic:	-34.345

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	361.48
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.01
LogP (Chemaxon):	5.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value