3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one

C23H26Cl2N4O2 — CID 22124768

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
SMILESCC(CCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C)N1CCOCC1
InChIInChI=1S/C23H26Cl2N4O2/c1-15(29-8-10-31-11-9-29)6-7-26-21-13-20-16(14-27-21)12-17(23(30)28(20)2)22-18(24)4-3-5-19(22)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27)
InChIKeyIKVONXRYJZVUQV-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.43
Rot. Bonds6

About 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one

3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one (PubChem CID 22124768) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
PubChem CID22124768
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one
SMILESCC(CCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C)N1CCOCC1
InChIInChI=1S/C23H26Cl2N4O2/c1-15(29-8-10-31-11-9-29)6-7-26-21-13-20-16(14-27-21)12-17(23(30)28(20)2)22-18(24)4-3-5-19(22)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27)
InChIKeyIKVONXRYJZVUQV-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one (CID 22124768) is 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one is CC(CCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C)N1CCOCC1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
The InChIKey is IKVONXRYJZVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/c1-15(29-8-10-31-11-9-29)6-7-26-21-13-20-16(14-27-21)12-17(23(30)28(20)2)22-18(24)4-3-5-19(22)25/h3-5,12-15H,6-11H2,1-2H3,(H,26,27).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one has a molecular weight of 461.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylbutylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).