7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate

C38H41Cl2F3N4O8 — CID 161149163

IUPAC7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate
SMILESC.CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Cl)cc21.COC(=O)Cc1cc(OC)cc(OC)c1.O=Cc1cnc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C18H17ClN2O3.C11H14O4.C8H6ClF3N2O.CH4/c1-4-21-16-9-17(19)20-10-12(16)7-15(18(21)22)11-5-13(23-2)8-14(6-11)24-3;1-13-9-4-8(6-11(12)15-3)5-10(7-9)14-2;9-7-1-6(5(3-15)2-13-7)14-4-8(10,11)12;/h5-10H,4H2,1-3H3;4-5,7H,6H2,1-3H3;1-3H,4H2,(H,13,14);1H4
InChIKeyUOLDUHYEWMNUDM-UHFFFAOYSA-N
MW809.67 g/mol
LogP8.33
Rot. Bonds11

About 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate

7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate (PubChem CID 161149163) has the molecular formula C38H41Cl2F3N4O8 and a molecular weight of 809.67 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate
PubChem CID161149163
Molecular FormulaC38H41Cl2F3N4O8
Molecular Weight809.67 g/mol
Exact Mass808.23
IUPAC Name7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate
SMILESC.CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Cl)cc21.COC(=O)Cc1cc(OC)cc(OC)c1.O=Cc1cnc(Cl)cc1NCC(F)(F)F
InChIInChI=1S/C18H17ClN2O3.C11H14O4.C8H6ClF3N2O.CH4/c1-4-21-16-9-17(19)20-10-12(16)7-15(18(21)22)11-5-13(23-2)8-14(6-11)24-3;1-13-9-4-8(6-11(12)15-3)5-10(7-9)14-2;9-7-1-6(5(3-15)2-13-7)14-4-8(10,11)12;/h5-10H,4H2,1-3H3;4-5,7H,6H2,1-3H3;1-3H,4H2,(H,13,14);1H4
InChIKeyUOLDUHYEWMNUDM-UHFFFAOYSA-N
XLogP8.33
TPSA140.10 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.67
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate?
The IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate (CID 161149163) is 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate is C.CCn1c(=O)c(-c2cc(OC)cc(OC)c2)cc2cnc(Cl)cc21.COC(=O)Cc1cc(OC)cc(OC)c1.O=Cc1cnc(Cl)cc1NCC(F)(F)F.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate?
The InChIKey is UOLDUHYEWMNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3.C11H14O4.C8H6ClF3N2O.CH4/c1-4-21-16-9-17(19)20-10-12(16)7-15(18(21)22)11-5-13(23-2)8-14(6-11)24-3;1-13-9-4-8(6-11(12)15-3)5-10(7-9)14-2;9-7-1-6(5(3-15)2-13-7)14-4-8(10,11)12;/h5-10H,4H2,1-3H3;4-5,7H,6H2,1-3H3;1-3H,4H2,(H,13,14);1H4.
What are the key properties of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate?
7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate has a molecular weight of 809.67 g/mol, XLogP of 8.33, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;6-chloro-4-(2,2,2-trifluoroethylamino)pyridine-3-carbaldehyde;methane;methyl 2-(3,5-dimethoxyphenyl)acetate is sourced from PubChem (CID 161149163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).