5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one

C25H26FN5O4 — CID 118868391

IUPAC5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=c1c2ncoc2c2ccc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C25H26FN5O4/c26-16-1-2-19-20(11-16)31(25(32)23-24(19)35-15-29-23)8-7-30-5-3-17(4-6-30)27-13-18-12-21-22(14-28-18)34-10-9-33-21/h1-2,11-12,14-15,17,27H,3-10,13H2
InChIKeyDUZWBBYYKDXEDW-UHFFFAOYSA-N
MW479.51 g/mol
LogP2.70
Rot. Bonds6

About 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one

5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 118868391) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID118868391
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESO=c1c2ncoc2c2ccc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C25H26FN5O4/c26-16-1-2-19-20(11-16)31(25(32)23-24(19)35-15-29-23)8-7-30-5-3-17(4-6-30)27-13-18-12-21-22(14-28-18)34-10-9-33-21/h1-2,11-12,14-15,17,27H,3-10,13H2
InChIKeyDUZWBBYYKDXEDW-UHFFFAOYSA-N
XLogP2.70
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 118868391) is 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one is O=c1c2ncoc2c2ccc(F)cc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.
What is the InChIKey of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is DUZWBBYYKDXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c26-16-1-2-19-20(11-16)31(25(32)23-24(19)35-15-29-23)8-7-30-5-3-17(4-6-30)27-13-18-12-21-22(14-28-18)34-10-9-33-21/h1-2,11-12,14-15,17,27H,3-10,13H2.
What are the key properties of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 479.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 118868391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).