1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one

C21H24N4O2 — CID 136706472

IUPAC1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
SMILESCc1nc([C@H]2CCCN(Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C21H24N4O2/c1-14-22-18(11-20(26)23-14)16-7-5-9-25(12-16)13-17-10-15-6-3-4-8-19(15)24(2)21(17)27/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,23,26)/t16-/m0/s1
InChIKeyZXZPGGFLOMQFFV-INIZCTEOSA-N
MW364.45 g/mol
LogP2.31
Rot. Bonds3

About 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one

1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one (PubChem CID 136706472) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
PubChem CID136706472
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one
SMILESCc1nc([C@H]2CCCN(Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1
InChIInChI=1S/C21H24N4O2/c1-14-22-18(11-20(26)23-14)16-7-5-9-25(12-16)13-17-10-15-6-3-4-8-19(15)24(2)21(17)27/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,23,26)/t16-/m0/s1
InChIKeyZXZPGGFLOMQFFV-INIZCTEOSA-N
XLogP2.31
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782835
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
4-[(3R)-1-[(4-chloro-1-methylindazol-3-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136762318
2-methyl-4-[(3S)-1-[(4-pyridin-2-ylphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782782
2-methyl-4-[(3S)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136697975
4-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782821
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
4-[(3S)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782824
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one (CID 136706472) is 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one is Cc1nc([C@H]2CCCN(Cc3cc4ccccc4n(C)c3=O)C2)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one?
The InChIKey is ZXZPGGFLOMQFFV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-22-18(11-20(26)23-14)16-7-5-9-25(12-16)13-17-10-15-6-3-4-8-19(15)24(2)21(17)27/h3-4,6,8,10-11,16H,5,7,9,12-13H2,1-2H3,(H,22,23,26)/t16-/m0/s1.
What are the key properties of 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one?
1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one has a molecular weight of 364.45 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 1-methyl-3-[[(3S)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]quinolin-2-one is sourced from PubChem (CID 136706472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).