Chemical ID: 3846060

CCOC(=O)C1=C(OC(=C(C1c2cc3ccc(cc3nc2Cl)OC)C#N)N)C
Chemical ID:
3846060
Name [?]:
ethyl 6-amino-4-(2-chloro-7-methoxy-3-quinolyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
SMILES [?]:
CCOC(=O)C1=C(OC(=C(C1c2cc3ccc(cc3nc2Cl)OC)C#N)N)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18ClN3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.1356
Area:580.556
Solvation:-4.37826
Coulombic:-58.1057
Bond Count [?]
All:30
Single:21
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.827
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.18
LogP (Chemaxon):1.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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