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

C22H24Cl2N4O2 — CID 5328710

IUPAC3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)cc21
InChIInChI=1S/C22H24Cl2N4O2/c1-27-19-13-20(25-6-3-7-28-8-10-30-11-9-28)26-14-15(19)12-16(22(27)29)21-17(23)4-2-5-18(21)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26)
InChIKeyCYFCBAYGOYPBEA-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.04
Rot. Bonds6

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

3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one (PubChem CID 5328710) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one
PubChem CID5328710
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)cc21
InChIInChI=1S/C22H24Cl2N4O2/c1-27-19-13-20(25-6-3-7-28-8-10-30-11-9-28)26-14-15(19)12-16(22(27)29)21-17(23)4-2-5-18(21)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26)
InChIKeyCYFCBAYGOYPBEA-UHFFFAOYSA-N
XLogP4.04
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one (CID 5328710) is 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)cc21.
What is the InChIKey of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one?
The InChIKey is CYFCBAYGOYPBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c1-27-19-13-20(25-6-3-7-28-8-10-30-11-9-28)26-14-15(19)12-16(22(27)29)21-17(23)4-2-5-18(21)24/h2,4-5,12-14H,3,6-11H2,1H3,(H,25,26).
What are the key properties of 3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one?
3-(2,6-dichlorophenyl)-1-methyl-7-(3-morpholin-4-ylpropylamino)-1,6-naphthyridin-2-one has a molecular weight of 447.37 g/mol, XLogP of 4.04, 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-ylpropylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 5328710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).