6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one

C21H26N4O — CID 72894201

IUPAC6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCC(Cn4ccnc4C)CC3)cc(=O)c2c1
InChIInChI=1S/C21H26N4O/c1-15-3-4-20-19(11-15)21(26)12-18(23-20)14-24-8-5-17(6-9-24)13-25-10-7-22-16(25)2/h3-4,7,10-12,17H,5-6,8-9,13-14H2,1-2H3,(H,23,26)
InChIKeyAEEBCSJLFWFGLZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.25
Rot. Bonds4

About 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one

6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72894201) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72894201
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCC(Cn4ccnc4C)CC3)cc(=O)c2c1
InChIInChI=1S/C21H26N4O/c1-15-3-4-20-19(11-15)21(26)12-18(23-20)14-24-8-5-17(6-9-24)13-25-10-7-22-16(25)2/h3-4,7,10-12,17H,5-6,8-9,13-14H2,1-2H3,(H,23,26)
InChIKeyAEEBCSJLFWFGLZ-UHFFFAOYSA-N
XLogP3.25
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 72894201) is 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CCC(Cn4ccnc4C)CC3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is AEEBCSJLFWFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-3-4-20-19(11-15)21(26)12-18(23-20)14-24-8-5-17(6-9-24)13-25-10-7-22-16(25)2/h3-4,7,10-12,17H,5-6,8-9,13-14H2,1-2H3,(H,23,26).
What are the key properties of 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one?
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 350.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).