1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one

C14H11N3O2 — CID 130320113

IUPAC1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one
SMILESCn1c(=O)ccc2ccc(Oc3cccnc3)nc21
InChIInChI=1S/C14H11N3O2/c1-17-13(18)7-5-10-4-6-12(16-14(10)17)19-11-3-2-8-15-9-11/h2-9H,1H3
InChIKeyIXTOPPQZNLEHEQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.12
Rot. Bonds2

About 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one

1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one (PubChem CID 130320113) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one
PubChem CID130320113
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one
SMILESCn1c(=O)ccc2ccc(Oc3cccnc3)nc21
InChIInChI=1S/C14H11N3O2/c1-17-13(18)7-5-10-4-6-12(16-14(10)17)19-11-3-2-8-15-9-11/h2-9H,1H3
InChIKeyIXTOPPQZNLEHEQ-UHFFFAOYSA-N
XLogP2.12
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one (CID 130320113) is 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one is Cn1c(=O)ccc2ccc(Oc3cccnc3)nc21.
What is the InChIKey of 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one?
The InChIKey is IXTOPPQZNLEHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-17-13(18)7-5-10-4-6-12(16-14(10)17)19-11-3-2-8-15-9-11/h2-9H,1H3.
What are the key properties of 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one?
1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-pyridin-3-yloxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 130320113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).