6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C20H24N4O — CID 72936476

IUPAC6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN3CCCC(c4ccn[nH]4)C3)cc(=O)c2c1
InChIInChI=1S/C20H24N4O/c1-13-8-14(2)20-17(9-13)19(25)10-16(22-20)12-24-7-3-4-15(11-24)18-5-6-21-23-18/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyQKXHIQLPNXECDM-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.25
Rot. Bonds3

About 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72936476) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72936476
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN3CCCC(c4ccn[nH]4)C3)cc(=O)c2c1
InChIInChI=1S/C20H24N4O/c1-13-8-14(2)20-17(9-13)19(25)10-16(22-20)12-24-7-3-4-15(11-24)18-5-6-21-23-18/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyQKXHIQLPNXECDM-UHFFFAOYSA-N
XLogP3.25
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 72936476) is 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CN3CCCC(c4ccn[nH]4)C3)cc(=O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is QKXHIQLPNXECDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-8-14(2)20-17(9-13)19(25)10-16(22-20)12-24-7-3-4-15(11-24)18-5-6-21-23-18/h5-6,8-10,15H,3-4,7,11-12H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72936476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).