Chemical ID: 4738055

Cc1nc2cc(ccc2c(=O)n1CC3CCCO3)Cl
Chemical ID:
4738055
Name [?]:
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one
SMILES [?]:
Cc1nc2cc(ccc2c(=O)n1CC3CCCO3)Cl
InChi [?]:
InChI=1/C14H15ClN2O2/c1-9-16-13-7-10(15)4-5-12(13)14(18)17(9)8-11-3-2-6-19-11/h4-5,7,11H,2-3,6,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,7,8,17,5,13,2,6,14,9,4,10,19,3,12,11,18/rA:19cCCNCCCCCCCONCCCCCOCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;d10;s2s10;s12;s13;s14;s15;s16;s14s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15ClN2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.36751
Area:445.213
Solvation:-2.76281
Coulombic:-30.0354
Bond Count [?]
All:21
Single:16
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:278.734
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):1.92

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Descriptor Annotations

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