8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

C20H24N4O — CID 56752979

IUPAC8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc2cc(CN3CCCCC3c3ccn(C)n3)c(=O)[nH]c12
InChIInChI=1S/C20H24N4O/c1-14-6-5-7-15-12-16(20(25)21-19(14)15)13-24-10-4-3-8-18(24)17-9-11-23(2)22-17/h5-7,9,11-12,18H,3-4,8,10,13H2,1-2H3,(H,21,25)
InChIKeyMFANUQMSWKPGDB-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.30
Rot. Bonds3

About 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one

8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 56752979) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID56752979
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc2cc(CN3CCCCC3c3ccn(C)n3)c(=O)[nH]c12
InChIInChI=1S/C20H24N4O/c1-14-6-5-7-15-12-16(20(25)21-19(14)15)13-24-10-4-3-8-18(24)17-9-11-23(2)22-17/h5-7,9,11-12,18H,3-4,8,10,13H2,1-2H3,(H,21,25)
InChIKeyMFANUQMSWKPGDB-UHFFFAOYSA-N
XLogP3.30
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 56752979) is 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is Cc1cccc2cc(CN3CCCCC3c3ccn(C)n3)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is MFANUQMSWKPGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-6-5-7-15-12-16(20(25)21-19(14)15)13-24-10-4-3-8-18(24)17-9-11-23(2)22-17/h5-7,9,11-12,18H,3-4,8,10,13H2,1-2H3,(H,21,25).
What are the key properties of 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one?
8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 336.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[[2-(1-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56752979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).