3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane

C24H34Cl2N4O2 — CID 142381446

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
SMILESCCC.CCC.CNc1cc2c(NC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C18H18Cl2N4O2.2C3H8/c1-21-14-6-10-9(8-23-14)5-11(24-18(10)22-2)15-16(19)12(25-3)7-13(26-4)17(15)20;2*1-3-2/h5-8H,1-4H3,(H,21,23)(H,22,24);2*3H2,1-2H3
InChIKeyFOPNOGBDQGHTBL-UHFFFAOYSA-N
MW481.47 g/mol
LogP7.54
Rot. Bonds5

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane

3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane (PubChem CID 142381446) has the molecular formula C24H34Cl2N4O2 and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
PubChem CID142381446
Molecular FormulaC24H34Cl2N4O2
Molecular Weight481.47 g/mol
Exact Mass480.21
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane
SMILESCCC.CCC.CNc1cc2c(NC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1
InChIInChI=1S/C18H18Cl2N4O2.2C3H8/c1-21-14-6-10-9(8-23-14)5-11(24-18(10)22-2)15-16(19)12(25-3)7-13(26-4)17(15)20;2*1-3-2/h5-8H,1-4H3,(H,21,23)(H,22,24);2*3H2,1-2H3
InChIKeyFOPNOGBDQGHTBL-UHFFFAOYSA-N
XLogP7.54
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane (CID 142381446) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane is CCC.CCC.CNc1cc2c(NC)nc(-c3c(Cl)c(OC)cc(OC)c3Cl)cc2cn1.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane?
The InChIKey is FOPNOGBDQGHTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2.2C3H8/c1-21-14-6-10-9(8-23-14)5-11(24-18(10)22-2)15-16(19)12(25-3)7-13(26-4)17(15)20;2*1-3-2/h5-8H,1-4H3,(H,21,23)(H,22,24);2*3H2,1-2H3.
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane has a molecular weight of 481.47 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-N,7-N-dimethyl-2,6-naphthyridine-1,7-diamine;propane is sourced from PubChem (CID 142381446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).