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

C19H19ClN4O3 — CID 90682307

IUPAC4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1Cl
InChIInChI=1S/C19H19ClN4O3/c1-23-18(20)14(11-21-23)19(26)24-8-6-12(7-9-24)27-16-10-17(25)22-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H,22,25)
InChIKeyBKRKCQLWYPBAFC-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.60
Rot. Bonds3

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

4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one (PubChem CID 90682307) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one
PubChem CID90682307
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one
SMILESCn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1Cl
InChIInChI=1S/C19H19ClN4O3/c1-23-18(20)14(11-21-23)19(26)24-8-6-12(7-9-24)27-16-10-17(25)22-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H,22,25)
InChIKeyBKRKCQLWYPBAFC-UHFFFAOYSA-N
XLogP2.60
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.60
H-Bond Donors ≤ 51
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]oxy-1H-quinolin-2-one?
The IUPAC name of 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one (CID 90682307) is 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one.
What is the SMILES notation for 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one?
The canonical SMILES for 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one is Cn1ncc(C(=O)N2CCC(Oc3cc(=O)[nH]c4ccccc34)CC2)c1Cl.
What is the InChIKey of 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one?
The InChIKey is BKRKCQLWYPBAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-23-18(20)14(11-21-23)19(26)24-8-6-12(7-9-24)27-16-10-17(25)22-15-5-3-2-4-13(15)16/h2-5,10-12H,6-9H2,1H3,(H,22,25).
What are the key properties of 4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one?
4-[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxy-1H-quinolin-2-one has a molecular weight of 386.84 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 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]oxy-1H-quinolin-2-one is sourced from PubChem (CID 90682307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).