Chemical ID: 4806328

CCC1CCCCN1c2c3ccccc3nc(n2)c4ccccc4O
Chemical ID:
4806328
Name [?]:
2-[4-(2-ethyl-1-piperidyl)quinazolin-2-yl]phenol
SMILES [?]:
CCC1CCCCN1c2c3ccccc3nc(n2)c4ccccc4O
InChi [?]:
InChI=1/C21H23N3O/c1-2-15-9-7-8-14-24(15)21-16-10-3-5-12-18(16)22-20(23-21)17-11-4-6-13-19(17)25/h3-6,10-13,15,25H,2,7-9,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,12,21,13,22,5,6,4,11,20,14,23,7,3,10,19,15,24,17,9,16,18,8,25/rA:25cCCCCCCCNCCCCCCCNCNCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:10.6647
Area:515.234
Solvation:-2.21612
Coulombic:-37.5428
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.427
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.33
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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