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

C21H30N3O3+ — CID 4091501

IUPAC3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CC(C)OC(C)C1
InChIInChI=1S/C21H29N3O3/c1-14-11-23(12-15(2)27-14)13-19-16(3)22-20-5-4-17(10-18(20)21(19)25)24-6-8-26-9-7-24/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,22,25)/p+1
InChIKeyGYIBDEDBVIYNMN-UHFFFAOYSA-O
MW372.49 g/mol
LogP0.87
Rot. Bonds3

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

3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one (PubChem CID 4091501) has the molecular formula C21H30N3O3+ and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
PubChem CID4091501
Molecular FormulaC21H30N3O3+
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one
SMILESCc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CC(C)OC(C)C1
InChIInChI=1S/C21H29N3O3/c1-14-11-23(12-15(2)27-14)13-19-16(3)22-20-5-4-17(10-18(20)21(19)25)24-6-8-26-9-7-24/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,22,25)/p+1
InChIKeyGYIBDEDBVIYNMN-UHFFFAOYSA-O
XLogP0.87
TPSA59.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one?
The IUPAC name of 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one (CID 4091501) is 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one.
What is the SMILES notation for 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one?
The canonical SMILES for 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one is Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CC(C)OC(C)C1.
What is the InChIKey of 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one?
The InChIKey is GYIBDEDBVIYNMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N3O3/c1-14-11-23(12-15(2)27-14)13-19-16(3)22-20-5-4-17(10-18(20)21(19)25)24-6-8-26-9-7-24/h4-5,10,14-15H,6-9,11-13H2,1-3H3,(H,22,25)/p+1.
What are the key properties of 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one?
3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one has a molecular weight of 372.49 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one is sourced from PubChem (CID 4091501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).