3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C22H22N4O2 — CID 129277839

IUPAC3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4cccnc4c3)CC1)CNC2=O
InChIInChI=1S/C22H22N4O2/c1-14-11-18-20(13-24-22(18)27)25-21(14)26-9-6-16(7-10-26)28-17-5-4-15-3-2-8-23-19(15)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,24,27)
InChIKeyAIACILWQIBANHE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.23
Rot. Bonds3

About 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277839) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277839
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(Oc3ccc4cccnc4c3)CC1)CNC2=O
InChIInChI=1S/C22H22N4O2/c1-14-11-18-20(13-24-22(18)27)25-21(14)26-9-6-16(7-10-26)28-17-5-4-15-3-2-8-23-19(15)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,24,27)
InChIKeyAIACILWQIBANHE-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713
2-[4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277802
2-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277820
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731
3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278259
2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277601
2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277639
2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277628
2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277930
2-[4-[(2,2-difluorocyclopropyl)methoxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 145341675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277839) is 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(Oc3ccc4cccnc4c3)CC1)CNC2=O.
What is the InChIKey of 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is AIACILWQIBANHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-18-20(13-24-22(18)27)25-21(14)26-9-6-16(7-10-26)28-17-5-4-15-3-2-8-23-19(15)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,24,27).
What are the key properties of 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).