2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

C19H27N2O+ — CID 7212924

IUPAC2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)c(C[NH+]3CCCC[C@H]3C)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-9-13(2)18-17(10-12)20-15(4)16(19(18)22)11-21-8-6-5-7-14(21)3/h9-10,14H,5-8,11H2,1-4H3,(H,20,22)/p+1/t14-/m1/s1
InChIKeyDPOUHLUCOAIRPK-CQSZACIVSA-O
MW299.44 g/mol
LogP2.41
Rot. Bonds2

About 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 7212924) has the molecular formula C19H27N2O+ and a molecular weight of 299.44 g/mol. Its IUPAC name is 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
PubChem CID7212924
Molecular FormulaC19H27N2O+
Molecular Weight299.44 g/mol
Exact Mass299.21
IUPAC Name2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1cc(C)c2c(=O)c(C[NH+]3CCCC[C@H]3C)c(C)[nH]c2c1
InChIInChI=1S/C19H26N2O/c1-12-9-13(2)18-17(10-12)20-15(4)16(19(18)22)11-21-8-6-5-7-14(21)3/h9-10,14H,5-8,11H2,1-4H3,(H,20,22)/p+1/t14-/m1/s1
InChIKeyDPOUHLUCOAIRPK-CQSZACIVSA-O
XLogP2.41
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (CID 7212924) is 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is Cc1cc(C)c2c(=O)c(C[NH+]3CCCC[C@H]3C)c(C)[nH]c2c1.
What is the InChIKey of 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is DPOUHLUCOAIRPK-CQSZACIVSA-O. The full InChI is InChI=1S/C19H26N2O/c1-12-9-13(2)18-17(10-12)20-15(4)16(19(18)22)11-21-8-6-5-7-14(21)3/h9-10,14H,5-8,11H2,1-4H3,(H,20,22)/p+1/t14-/m1/s1.
What are the key properties of 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 299.44 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 7212924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).