4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one

C19H19ClFN5O2 — CID 90682304

IUPAC4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4c(F)cccc34)CC2)c1Cl
InChIInChI=1S/C19H19ClFN5O2/c1-25-18(20)13(10-22-25)19(28)26-7-5-11(6-8-26)23-15-9-16(27)24-17-12(15)3-2-4-14(17)21/h2-4,9-11H,5-8H2,1H3,(H2,23,24,27)
InChIKeyATSYODSMUJCMMJ-UHFFFAOYSA-N
MW403.85 g/mol
LogP2.77
Rot. Bonds3

About 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one

4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one (PubChem CID 90682304) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one
PubChem CID90682304
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4c(F)cccc34)CC2)c1Cl
InChIInChI=1S/C19H19ClFN5O2/c1-25-18(20)13(10-22-25)19(28)26-7-5-11(6-8-26)23-15-9-16(27)24-17-12(15)3-2-4-14(17)21/h2-4,9-11H,5-8H2,1H3,(H2,23,24,27)
InChIKeyATSYODSMUJCMMJ-UHFFFAOYSA-N
XLogP2.77
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one (CID 90682304) is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one is Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4c(F)cccc34)CC2)c1Cl.
What is the InChIKey of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one?
The InChIKey is ATSYODSMUJCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-25-18(20)13(10-22-25)19(28)26-7-5-11(6-8-26)23-15-9-16(27)24-17-12(15)3-2-4-14(17)21/h2-4,9-11H,5-8H2,1H3,(H2,23,24,27).
What are the key properties of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one?
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one has a molecular weight of 403.85 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-8-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 90682304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).