6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

C25H25N5O3 — CID 143841156

IUPAC6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(C)c3)n2)n1
InChIInChI=1S/C25H25N5O3/c1-16-14-18(6-7-21(16)30-10-12-33-13-11-30)27-24-23-17(8-9-26-25(23)31)15-20(29-24)19-4-3-5-22(28-19)32-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyDMMGAQADWVTIHS-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.88
Rot. Bonds5

About 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one

6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (PubChem CID 143841156) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
PubChem CID143841156
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
SMILESCOc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(C)c3)n2)n1
InChIInChI=1S/C25H25N5O3/c1-16-14-18(6-7-21(16)30-10-12-33-13-11-30)27-24-23-17(8-9-26-25(23)31)15-20(29-24)19-4-3-5-22(28-19)32-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,31)(H,27,29)
InChIKeyDMMGAQADWVTIHS-UHFFFAOYSA-N
XLogP3.88
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58093885
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
CID 58093719
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
CID 66888600
6-(6-butyl-2-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093812
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841234
6-(1-methylpyrazol-3-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 66887661
6-(2-amino-6-methylpyrimidin-4-yl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093783
6-(3-aminosulfanyl-4-methoxyphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 143841233
6-(4-methyl-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094050
6-(2-methyl-3-methylsulfinylphenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093617
6-(2-ethoxypyrimidin-5-yl)-8-[3-methyl-4-[(2S)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58094492

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one (CID 143841156) is 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is COc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCOCC4)c(C)c3)n2)n1.
What is the InChIKey of 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
The InChIKey is DMMGAQADWVTIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-14-18(6-7-21(16)30-10-12-33-13-11-30)27-24-23-17(8-9-26-25(23)31)15-20(29-24)19-4-3-5-22(28-19)32-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,31)(H,27,29).
What are the key properties of 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one?
6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one has a molecular weight of 443.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-2-pyridinyl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 143841156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).