4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one

C20H22ClN5O2 — CID 90682472

IUPAC4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one
SMILESC[C@H]1C[C@H](Nc2cc(=O)[nH]c3ccccc23)CCN1C(=O)c1cnn(C)c1Cl
InChIInChI=1S/C20H22ClN5O2/c1-12-9-13(7-8-26(12)20(28)15-11-22-25(2)19(15)21)23-17-10-18(27)24-16-6-4-3-5-14(16)17/h3-6,10-13H,7-9H2,1-2H3,(H2,23,24,27)/t12-,13+/m0/s1
InChIKeyXFNXFHLSJLRKQN-QWHCGFSZSA-N
MW399.88 g/mol
LogP3.02
Rot. Bonds3

About 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one

4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one (PubChem CID 90682472) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one
PubChem CID90682472
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one
SMILESC[C@H]1C[C@H](Nc2cc(=O)[nH]c3ccccc23)CCN1C(=O)c1cnn(C)c1Cl
InChIInChI=1S/C20H22ClN5O2/c1-12-9-13(7-8-26(12)20(28)15-11-22-25(2)19(15)21)23-17-10-18(27)24-16-6-4-3-5-14(16)17/h3-6,10-13H,7-9H2,1-2H3,(H2,23,24,27)/t12-,13+/m0/s1
InChIKeyXFNXFHLSJLRKQN-QWHCGFSZSA-N
XLogP3.02
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-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

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
[3-[4-(3-Chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 24793257
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
CID 90644461
2(1H)-Quinolinone, 4-[[1-[(5-chloro-1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinyl]amino]-6-fluoro-
CID 90644462
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
CID 90644463
4-[[1-(5-Chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1-methylquinolin-2-one
CID 90644464
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7-fluoro-1H-quinolin-2-one
CID 90682303
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-8-fluoro-1H-quinolin-2-one
CID 90682304
4-[[1-(5-chloro-1-methyl-pyrazole-4-carbonyl)-4-piperidyl]amino]-7,8-difluoro-1H-quinolin-2-one
CID 90682305
4-[[(1R,5S)-8-(5-chloro-1-methyl-pyrazole-4-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-6-fluoro-1H-quinolin-2-one
CID 90682474

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one (CID 90682472) is 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one is C[C@H]1C[C@H](Nc2cc(=O)[nH]c3ccccc23)CCN1C(=O)c1cnn(C)c1Cl.
What is the InChIKey of 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one?
The InChIKey is XFNXFHLSJLRKQN-QWHCGFSZSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-12-9-13(7-8-26(12)20(28)15-11-22-25(2)19(15)21)23-17-10-18(27)24-16-6-4-3-5-14(16)17/h3-6,10-13H,7-9H2,1-2H3,(H2,23,24,27)/t12-,13+/m0/s1.
What are the key properties of 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one?
4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one has a molecular weight of 399.88 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,4R)-1-(5-chloro-1-methylpyrazole-4-carbonyl)-2-methylpiperidin-4-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 90682472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).