Chemical ID: 4155717

CCCNc1c2ccccc2nc(n1)c3ccc(cc3)OC
Chemical ID:
4155717
Name [?]:
2-(4-methoxyphenyl)-N-propyl-quinazolin-4-amine
SMILES [?]:
CCCNc1c2ccccc2nc(n1)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H19N3O/c1-3-12-19-18-15-6-4-5-7-16(15)20-17(21-18)13-8-10-14(22-2)11-9-13/h4-11H,3,12H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,2,8,9,7,10,16,20,17,19,3,15,18,6,11,13,5,4,12,14,21/E:(8,9)(10,11)/rA:22nCCCNCCCCCCCNCNCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;d5s13;s13;s15;d16;s17;d18;d15s19;s18;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1514
Area:512.8
Solvation:-2.66857
Coulombic:-33.1835
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.363
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.18
LogP (Chemaxon):4.19

Name Annotations

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Descriptor Annotations

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