7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one

C21H29N3O4 — CID 126465957

IUPAC7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(CO)NCc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3
InChIInChI=1S/C21H29N3O4/c1-15(13-25)22-12-17-9-16-10-19-20(28-14-27-19)11-18(16)24(21(17)26)8-7-23-5-3-2-4-6-23/h9-11,15,22,25H,2-8,12-14H2,1H3
InChIKeyFOOXUAQJLRORTF-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.69
Rot. Bonds7

About 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 126465957) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID126465957
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(CO)NCc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3
InChIInChI=1S/C21H29N3O4/c1-15(13-25)22-12-17-9-16-10-19-20(28-14-27-19)11-18(16)24(21(17)26)8-7-23-5-3-2-4-6-23/h9-11,15,22,25H,2-8,12-14H2,1H3
InChIKeyFOOXUAQJLRORTF-UHFFFAOYSA-N
XLogP1.69
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 126465957) is 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one is CC(CO)NCc1cc2cc3c(cc2n(CCN2CCCCC2)c1=O)OCO3.
What is the InChIKey of 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is FOOXUAQJLRORTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15(13-25)22-12-17-9-16-10-19-20(28-14-27-19)11-18(16)24(21(17)26)8-7-23-5-3-2-4-6-23/h9-11,15,22,25H,2-8,12-14H2,1H3.
What are the key properties of 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 387.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxypropan-2-ylamino)methyl]-5-(2-piperidin-1-ylethyl)-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 126465957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).