4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one

C20H20F2N4O3 — CID 90682482

IUPAC4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
SMILESCc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1C
InChIInChI=1S/C20H20F2N4O3/c1-10-11(2)29-25-19(10)20(28)26-5-3-12(4-6-26)23-17-9-18(27)24-16-8-15(22)14(21)7-13(16)17/h7-9,12H,3-6H2,1-2H3,(H2,23,24,27)
InChIKeyQLTLLBCZAFECOV-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.13
Rot. Bonds3

About 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one

4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one (PubChem CID 90682482) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
PubChem CID90682482
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one
SMILESCc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1C
InChIInChI=1S/C20H20F2N4O3/c1-10-11(2)29-25-19(10)20(28)26-5-3-12(4-6-26)23-17-9-18(27)24-16-8-15(22)14(21)7-13(16)17/h7-9,12H,3-6H2,1-2H3,(H2,23,24,27)
InChIKeyQLTLLBCZAFECOV-UHFFFAOYSA-N
XLogP3.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-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-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one (CID 90682482) is 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one is Cc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1C.
What is the InChIKey of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
The InChIKey is QLTLLBCZAFECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-10-11(2)29-25-19(10)20(28)26-5-3-12(4-6-26)23-17-9-18(27)24-16-8-15(22)14(21)7-13(16)17/h7-9,12H,3-6H2,1-2H3,(H2,23,24,27).
What are the key properties of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one?
4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one has a molecular weight of 402.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6,7-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 90682482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).