4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one

C20H23N5O2 — CID 90682476

IUPAC4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cnn1C
InChIInChI=1S/C20H23N5O2/c1-13-16(12-21-24(13)2)20(27)25-9-7-14(8-10-25)22-18-11-19(26)23-17-6-4-3-5-15(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H2,22,23,26)
InChIKeyRHXRDLVDRCUTRK-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.29
Rot. Bonds3

About 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one

4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one (PubChem CID 90682476) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
PubChem CID90682476
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cnn1C
InChIInChI=1S/C20H23N5O2/c1-13-16(12-21-24(13)2)20(27)25-9-7-14(8-10-25)22-18-11-19(26)23-17-6-4-3-5-15(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H2,22,23,26)
InChIKeyRHXRDLVDRCUTRK-UHFFFAOYSA-N
XLogP2.29
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one (CID 90682476) is 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one is Cc1c(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cnn1C.
What is the InChIKey of 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The InChIKey is RHXRDLVDRCUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-16(12-21-24(13)2)20(27)25-9-7-14(8-10-25)22-18-11-19(26)23-17-6-4-3-5-15(17)18/h3-6,11-12,14H,7-10H2,1-2H3,(H2,22,23,26).
What are the key properties of 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 90682476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).