2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one

C21H30N3O2+ — CID 7212941

IUPAC2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C21H29N3O2/c1-15-4-3-7-23(13-15)14-19-16(2)22-20-6-5-17(12-18(20)21(19)25)24-8-10-26-11-9-24/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyLQVDIVZYLMWQAS-OAHLLOKOSA-O
MW356.49 g/mol
LogP1.49
Rot. Bonds3

About 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one

2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one (PubChem CID 7212941) has the molecular formula C21H30N3O2+ and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
PubChem CID7212941
Molecular FormulaC21H30N3O2+
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C21H29N3O2/c1-15-4-3-7-23(13-15)14-19-16(2)22-20-6-5-17(12-18(20)21(19)25)24-8-10-26-11-9-24/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyLQVDIVZYLMWQAS-OAHLLOKOSA-O
XLogP1.49
TPSA49.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one?
The IUPAC name of 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one (CID 7212941) is 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one is Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCC[C@@H](C)C1.
What is the InChIKey of 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one?
The InChIKey is LQVDIVZYLMWQAS-OAHLLOKOSA-O. The full InChI is InChI=1S/C21H29N3O2/c1-15-4-3-7-23(13-15)14-19-16(2)22-20-6-5-17(12-18(20)21(19)25)24-8-10-26-11-9-24/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1.
What are the key properties of 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one?
2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one has a molecular weight of 356.49 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-morpholin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 7212941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).