5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione

C20H22N4O3 — CID 162670923

IUPAC5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1cn(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-13-11-24(20(27)22-19(13)26)15-6-8-23(9-7-15)12-14-10-18(25)16-4-2-3-5-17(16)21-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyJWDNHEKDNIBODT-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.52
Rot. Bonds3

About 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione

5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione (PubChem CID 162670923) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
PubChem CID162670923
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione
SMILESCc1cn(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H22N4O3/c1-13-11-24(20(27)22-19(13)26)15-6-8-23(9-7-15)12-14-10-18(25)16-4-2-3-5-17(16)21-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,21,25)(H,22,26,27)
InChIKeyJWDNHEKDNIBODT-UHFFFAOYSA-N
XLogP1.52
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione (CID 162670923) is 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione is Cc1cn(C2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?
The InChIKey is JWDNHEKDNIBODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-11-24(20(27)22-19(13)26)15-6-8-23(9-7-15)12-14-10-18(25)16-4-2-3-5-17(16)21-14/h2-5,10-11,15H,6-9,12H2,1H3,(H,21,25)(H,22,26,27).
What are the key properties of 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione?
5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 162670923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).