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

C19H21N5O2 — CID 90682475

IUPAC4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCn1cc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-12-13(11-20-23)19(26)24-8-6-14(7-9-24)21-17-10-18(25)22-16-5-3-2-4-15(16)17/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22,25)
InChIKeyDKMOXXHHIYAULE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.98
Rot. Bonds3

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

4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one (PubChem CID 90682475) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
PubChem CID90682475
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one
SMILESCn1cc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cn1
InChIInChI=1S/C19H21N5O2/c1-23-12-13(11-20-23)19(26)24-8-6-14(7-9-24)21-17-10-18(25)22-16-5-3-2-4-15(16)17/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22,25)
InChIKeyDKMOXXHHIYAULE-UHFFFAOYSA-N
XLogP1.98
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one (CID 90682475) is 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one is Cn1cc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccccc34)CC2)cn1.
What is the InChIKey of 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
The InChIKey is DKMOXXHHIYAULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-12-13(11-20-23)19(26)24-8-6-14(7-9-24)21-17-10-18(25)22-16-5-3-2-4-15(16)17/h2-5,10-12,14H,6-9H2,1H3,(H2,21,22,25).
What are the key properties of 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one?
4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one has a molecular weight of 351.41 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 90682475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).