6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

C19H27N2O3+ — CID 7212656

IUPAC6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C)c(C[NH+]3CCC[C@H](C)C3)c(=O)c2c1
InChIInChI=1S/C19H26N2O3/c1-12-6-5-7-21(10-12)11-16-13(2)20-18-15(19(16)22)8-14(23-3)9-17(18)24-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,22)/p+1/t12-/m0/s1
InChIKeyIJKUODPAXURUOV-LBPRGKRZSA-O
MW331.44 g/mol
LogP1.67
Rot. Bonds4

About 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one

6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 7212656) has the molecular formula C19H27N2O3+ and a molecular weight of 331.44 g/mol. Its IUPAC name is 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
PubChem CID7212656
Molecular FormulaC19H27N2O3+
Molecular Weight331.44 g/mol
Exact Mass331.20
IUPAC Name6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C)c(C[NH+]3CCC[C@H](C)C3)c(=O)c2c1
InChIInChI=1S/C19H26N2O3/c1-12-6-5-7-21(10-12)11-16-13(2)20-18-15(19(16)22)8-14(23-3)9-17(18)24-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,22)/p+1/t12-/m0/s1
InChIKeyIJKUODPAXURUOV-LBPRGKRZSA-O
XLogP1.67
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one (CID 7212656) is 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCC[C@H](C)C3)c(=O)c2c1.
What is the InChIKey of 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is IJKUODPAXURUOV-LBPRGKRZSA-O. The full InChI is InChI=1S/C19H26N2O3/c1-12-6-5-7-21(10-12)11-16-13(2)20-18-15(19(16)22)8-14(23-3)9-17(18)24-4/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,22)/p+1/t12-/m0/s1.
What are the key properties of 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one?
6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 331.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 7212656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).