1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one

C23H21F2N3O4 — CID 160574926

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one
SMILESCC1=CC(=O)Cc2cc(F)cnc21.Cc1cc(=O)n(CC2OCCO2)c2cc(F)cnc12
InChIInChI=1S/C13H13FN2O3.C10H8FNO/c1-8-4-11(17)16(7-12-18-2-3-19-12)10-5-9(14)6-15-13(8)10;1-6-2-9(13)4-7-3-8(11)5-12-10(6)7/h4-6,12H,2-3,7H2,1H3;2-3,5H,4H2,1H3
InChIKeyRBADHZSKGMCIIG-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.97
Rot. Bonds2

About 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one

1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one (PubChem CID 160574926) has the molecular formula C23H21F2N3O4 and a molecular weight of 441.43 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one
PubChem CID160574926
Molecular FormulaC23H21F2N3O4
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one
SMILESCC1=CC(=O)Cc2cc(F)cnc21.Cc1cc(=O)n(CC2OCCO2)c2cc(F)cnc12
InChIInChI=1S/C13H13FN2O3.C10H8FNO/c1-8-4-11(17)16(7-12-18-2-3-19-12)10-5-9(14)6-15-13(8)10;1-6-2-9(13)4-7-3-8(11)5-12-10(6)7/h4-6,12H,2-3,7H2,1H3;2-3,5H,4H2,1H3
InChIKeyRBADHZSKGMCIIG-UHFFFAOYSA-N
XLogP2.97
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one (CID 160574926) is 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one is CC1=CC(=O)Cc2cc(F)cnc21.Cc1cc(=O)n(CC2OCCO2)c2cc(F)cnc12.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one?
The InChIKey is RBADHZSKGMCIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3.C10H8FNO/c1-8-4-11(17)16(7-12-18-2-3-19-12)10-5-9(14)6-15-13(8)10;1-6-2-9(13)4-7-3-8(11)5-12-10(6)7/h4-6,12H,2-3,7H2,1H3;2-3,5H,4H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one?
1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one has a molecular weight of 441.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-fluoro-4-methyl-1,5-naphthyridin-2-one;3-fluoro-8-methyl-5H-quinolin-6-one is sourced from PubChem (CID 160574926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).