6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C25H24N4O3 — CID 58093634

IUPAC6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)cc3)n2)c1
InChIInChI=1S/C25H24N4O3/c1-31-21-12-19(14-26-15-21)22-13-18-6-9-27-25(30)23(18)24(29-22)28-20-4-2-16(3-5-20)17-7-10-32-11-8-17/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyORBHGFHNKDKLIU-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.63
Rot. Bonds5

About 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one

6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093634) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093634
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)cc3)n2)c1
InChIInChI=1S/C25H24N4O3/c1-31-21-12-19(14-26-15-21)22-13-18-6-9-27-25(30)23(18)24(29-22)28-20-4-2-16(3-5-20)17-7-10-32-11-8-17/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,30)(H,28,29)
InChIKeyORBHGFHNKDKLIU-UHFFFAOYSA-N
XLogP4.63
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 58093634) is 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)cc3)n2)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is ORBHGFHNKDKLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-21-12-19(14-26-15-21)22-13-18-6-9-27-25(30)23(18)24(29-22)28-20-4-2-16(3-5-20)17-7-10-32-11-8-17/h2-6,9,12-15,17H,7-8,10-11H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 428.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-8-[4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).