5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one

C24H28N6O4 — CID 118868422

IUPAC5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one
SMILESO=c1c2nocc2c2c(n1CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)CCC=N2
InChIInChI=1S/C24H28N6O4/c31-24-23-18(15-34-28-23)22-19(2-1-5-25-22)30(24)9-8-29-6-3-16(4-7-29)26-13-17-12-20-21(14-27-17)33-11-10-32-20/h5,12,14-16,26H,1-4,6-11,13H2
InChIKeyJPVBYYGQJFANMG-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.06
Rot. Bonds6

About 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one

5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one (PubChem CID 118868422) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 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]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one.

Molecular Properties

Compound Name5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one
PubChem CID118868422
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Name5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one
SMILESO=c1c2nocc2c2c(n1CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)CCC=N2
InChIInChI=1S/C24H28N6O4/c31-24-23-18(15-34-28-23)22-19(2-1-5-25-22)30(24)9-8-29-6-3-16(4-7-29)26-13-17-12-20-21(14-27-17)33-11-10-32-20/h5,12,14-16,26H,1-4,6-11,13H2
InChIKeyJPVBYYGQJFANMG-UHFFFAOYSA-N
XLogP2.06
TPSA107.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one with MolForge

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Related Compounds

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
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
CID 24864198
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-6-fluoro-[1,3]thiazolo[5,4-b]pyridin-2-one;dihydrochloride
CID 68992268
7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,6-naphthyridin-2-one
CID 56834576
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-isocyanoquinoxalin-2-one
CID 59397978
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-2-methoxypteridin-7-one
CID 25024304
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-1,6-naphthyridin-2-one
CID 56834578
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one
CID 157282803
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-4-methylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 56834757
8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methylquinolin-2-one
CID 24888620

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]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one?
The IUPAC name of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one (CID 118868422) is 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-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]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one?
The canonical SMILES for 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one is O=c1c2nocc2c2c(n1CCN1CCC(NCc3cc4c(cn3)OCCO4)CC1)CCC=N2.
What is the InChIKey of 5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one?
The InChIKey is JPVBYYGQJFANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c31-24-23-18(15-34-28-23)22-19(2-1-5-25-22)30(24)9-8-29-6-3-16(4-7-29)26-13-17-12-20-21(14-27-17)33-11-10-32-20/h5,12,14-16,26H,1-4,6-11,13H2.
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]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one?
5-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one has a molecular weight of 464.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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]-3,4-dihydro-[1,2]oxazolo[3,4-c][1,5]naphthyridin-6-one is sourced from PubChem (CID 118868422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).