3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one

C14H16N2O2 — CID 170056094

IUPAC3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one
SMILESCC(C)c1cnc2c3c(c(=O)[nH]c2c1)OCCC3
InChIInChI=1S/C14H16N2O2/c1-8(2)9-6-11-12(15-7-9)10-4-3-5-18-13(10)14(17)16-11/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyAOMNWKHEUDFPKZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.37
Rot. Bonds1

About 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one

3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one (PubChem CID 170056094) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one
PubChem CID170056094
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one
SMILESCC(C)c1cnc2c3c(c(=O)[nH]c2c1)OCCC3
InChIInChI=1S/C14H16N2O2/c1-8(2)9-6-11-12(15-7-9)10-4-3-5-18-13(10)14(17)16-11/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeyAOMNWKHEUDFPKZ-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one?
The IUPAC name of 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one (CID 170056094) is 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one.
What is the SMILES notation for 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one?
The canonical SMILES for 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one is CC(C)c1cnc2c3c(c(=O)[nH]c2c1)OCCC3.
What is the InChIKey of 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one?
The InChIKey is AOMNWKHEUDFPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(2)9-6-11-12(15-7-9)10-4-3-5-18-13(10)14(17)16-11/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one?
3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one has a molecular weight of 244.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-6-one is sourced from PubChem (CID 170056094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).