3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C19H22N4O — CID 126768056

IUPAC3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cnn(C2CCCN(Cc3cc4ccccc4[nH]c3=O)C2)c1
InChIInChI=1S/C19H22N4O/c1-14-10-20-23(11-14)17-6-4-8-22(13-17)12-16-9-15-5-2-3-7-18(15)21-19(16)24/h2-3,5,7,9-11,17H,4,6,8,12-13H2,1H3,(H,21,24)
InChIKeyXVPXCVFXJVVHAO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.87
Rot. Bonds3

About 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 126768056) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID126768056
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cnn(C2CCCN(Cc3cc4ccccc4[nH]c3=O)C2)c1
InChIInChI=1S/C19H22N4O/c1-14-10-20-23(11-14)17-6-4-8-22(13-17)12-16-9-15-5-2-3-7-18(15)21-19(16)24/h2-3,5,7,9-11,17H,4,6,8,12-13H2,1H3,(H,21,24)
InChIKeyXVPXCVFXJVVHAO-UHFFFAOYSA-N
XLogP2.87
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
3-[[3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one;hydroiodide
CID 154814702
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
3-[[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 128979096
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 126947361
5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
CID 155741023
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 124556492
N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129324681
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 126768056) is 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1cnn(C2CCCN(Cc3cc4ccccc4[nH]c3=O)C2)c1.
What is the InChIKey of 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is XVPXCVFXJVVHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-10-20-23(11-14)17-6-4-8-22(13-17)12-16-9-15-5-2-3-7-18(15)21-19(16)24/h2-3,5,7,9-11,17H,4,6,8,12-13H2,1H3,(H,21,24).
What are the key properties of 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 126768056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).