1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one

C16H20N2O2 — CID 177101674

IUPAC1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one
SMILESCc1cc2c(C(C)C)cc(C3COC3)nc2n(C)c1=O
InChIInChI=1S/C16H20N2O2/c1-9(2)12-6-14(11-7-20-8-11)17-15-13(12)5-10(3)16(19)18(15)4/h5-6,9,11H,7-8H2,1-4H3
InChIKeyUIQRZBMHIZPHKN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds2

About 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one

1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one (PubChem CID 177101674) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one
PubChem CID177101674
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one
SMILESCc1cc2c(C(C)C)cc(C3COC3)nc2n(C)c1=O
InChIInChI=1S/C16H20N2O2/c1-9(2)12-6-14(11-7-20-8-11)17-15-13(12)5-10(3)16(19)18(15)4/h5-6,9,11H,7-8H2,1-4H3
InChIKeyUIQRZBMHIZPHKN-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one (CID 177101674) is 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one is Cc1cc2c(C(C)C)cc(C3COC3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one?
The InChIKey is UIQRZBMHIZPHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9(2)12-6-14(11-7-20-8-11)17-15-13(12)5-10(3)16(19)18(15)4/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one?
1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(oxetan-3-yl)-5-propan-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 177101674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).