3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane

C23H32ClN3O2 — CID 142381395

IUPAC3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane
SMILESCC.CCC.CNc1nc(-c2cc(OC)cc(OC)c2Cl)cc2cnc(C)cc12
InChIInChI=1S/C18H18ClN3O2.C3H8.C2H6/c1-10-5-13-11(9-21-10)6-15(22-18(13)20-2)14-7-12(23-3)8-16(24-4)17(14)19;1-3-2;1-2/h5-9H,1-4H3,(H,20,22);3H2,1-2H3;1-2H3
InChIKeyPIENXQRBTJVWAM-UHFFFAOYSA-N
MW417.98 g/mol
LogP6.76
Rot. Bonds4

About 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane

3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane (PubChem CID 142381395) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane.

Molecular Properties

Compound Name3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane
PubChem CID142381395
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane
SMILESCC.CCC.CNc1nc(-c2cc(OC)cc(OC)c2Cl)cc2cnc(C)cc12
InChIInChI=1S/C18H18ClN3O2.C3H8.C2H6/c1-10-5-13-11(9-21-10)6-15(22-18(13)20-2)14-7-12(23-3)8-16(24-4)17(14)19;1-3-2;1-2/h5-9H,1-4H3,(H,20,22);3H2,1-2H3;1-2H3
InChIKeyPIENXQRBTJVWAM-UHFFFAOYSA-N
XLogP6.76
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.98
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane 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 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane?
The IUPAC name of 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane (CID 142381395) is 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane.
What is the SMILES notation for 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane?
The canonical SMILES for 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane is CC.CCC.CNc1nc(-c2cc(OC)cc(OC)c2Cl)cc2cnc(C)cc12.
What is the InChIKey of 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane?
The InChIKey is PIENXQRBTJVWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2.C3H8.C2H6/c1-10-5-13-11(9-21-10)6-15(22-18(13)20-2)14-7-12(23-3)8-16(24-4)17(14)19;1-3-2;1-2/h5-9H,1-4H3,(H,20,22);3H2,1-2H3;1-2H3.
What are the key properties of 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane?
3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane has a molecular weight of 417.98 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,5-dimethoxyphenyl)-N,7-dimethyl-2,6-naphthyridin-1-amine;ethane;propane is sourced from PubChem (CID 142381395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).