4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one

C20H20N4O3 — CID 122260938

IUPAC4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1nccc(OC2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C20H20N4O3/c1-13-21-9-8-19(22-13)27-14-5-4-10-24(12-14)20(26)16-11-18(25)23-17-7-3-2-6-15(16)17/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25)
InChIKeyVNLBRHGRDIDBCK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.31
Rot. Bonds3

About 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one

4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 122260938) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID122260938
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCc1nccc(OC2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1
InChIInChI=1S/C20H20N4O3/c1-13-21-9-8-19(22-13)27-14-5-4-10-24(12-14)20(26)16-11-18(25)23-17-7-3-2-6-15(16)17/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25)
InChIKeyVNLBRHGRDIDBCK-UHFFFAOYSA-N
XLogP2.31
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
(5-methyl-1-phenylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260701
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 124684521
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one (CID 122260938) is 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one is Cc1nccc(OC2CCCN(C(=O)c3cc(=O)[nH]c4ccccc34)C2)n1.
What is the InChIKey of 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is VNLBRHGRDIDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-21-9-8-19(22-13)27-14-5-4-10-24(12-14)20(26)16-11-18(25)23-17-7-3-2-6-15(16)17/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25).
What are the key properties of 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one?
4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 364.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 122260938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).