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

C20H21FN4O3 — CID 90682478

IUPAC4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C
InChIInChI=1S/C20H21FN4O3/c1-11-12(2)28-24-19(11)20(27)25-7-5-14(6-8-25)22-17-10-18(26)23-16-4-3-13(21)9-15(16)17/h3-4,9-10,14H,5-8H2,1-2H3,(H2,22,23,26)
InChIKeyMNRKZPSXVQZMRQ-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.99
Rot. Bonds3

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

4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (PubChem CID 90682478) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
PubChem CID90682478
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one
SMILESCc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C
InChIInChI=1S/C20H21FN4O3/c1-11-12(2)28-24-19(11)20(27)25-7-5-14(6-8-25)22-17-10-18(26)23-16-4-3-13(21)9-15(16)17/h3-4,9-10,14H,5-8H2,1-2H3,(H2,22,23,26)
InChIKeyMNRKZPSXVQZMRQ-UHFFFAOYSA-N
XLogP2.99
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one (CID 90682478) is 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-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-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one is Cc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C.
What is the InChIKey of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
The InChIKey is MNRKZPSXVQZMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-11-12(2)28-24-19(11)20(27)25-7-5-14(6-8-25)22-17-10-18(26)23-16-4-3-13(21)9-15(16)17/h3-4,9-10,14H,5-8H2,1-2H3,(H2,22,23,26).
What are the key properties of 4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one?
4-[[1-(4,5-dimethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]amino]-6-fluoro-1H-quinolin-2-one has a molecular weight of 384.41 g/mol, XLogP of 2.99, 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-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 90682478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).