1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one

C22H23N3O3 — CID 138382688

IUPAC1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one
SMILESCc1cc(N2CCC(c3ccn(C)c(=O)c3)CC2)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C22H23N3O3/c1-14-9-19(17-11-20-21(28-13-27-20)12-18(17)23-14)25-7-4-15(5-8-25)16-3-6-24(2)22(26)10-16/h3,6,9-12,15H,4-5,7-8,13H2,1-2H3
InChIKeyIPSSGCWLSLYZBF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.35
Rot. Bonds2

About 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one (PubChem CID 138382688) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one
PubChem CID138382688
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one
SMILESCc1cc(N2CCC(c3ccn(C)c(=O)c3)CC2)c2cc3c(cc2n1)OCO3
InChIInChI=1S/C22H23N3O3/c1-14-9-19(17-11-20-21(28-13-27-20)12-18(17)23-14)25-7-4-15(5-8-25)16-3-6-24(2)22(26)10-16/h3,6,9-12,15H,4-5,7-8,13H2,1-2H3
InChIKeyIPSSGCWLSLYZBF-UHFFFAOYSA-N
XLogP3.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one (CID 138382688) is 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one is Cc1cc(N2CCC(c3ccn(C)c(=O)c3)CC2)c2cc3c(cc2n1)OCO3.
What is the InChIKey of 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one?
The InChIKey is IPSSGCWLSLYZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-19(17-11-20-21(28-13-27-20)12-18(17)23-14)25-7-4-15(5-8-25)16-3-6-24(2)22(26)10-16/h3,6,9-12,15H,4-5,7-8,13H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138382688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).