4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one

C15H18N2O3 — CID 81243675

IUPAC4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NCC2COCCO2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-10-19-6-7-20-11/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyPQMXCPXJQXSCQT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.37
Rot. Bonds3

About 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one

4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one (PubChem CID 81243675) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one
PubChem CID81243675
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NCC2COCCO2)c2ccccc21
InChIInChI=1S/C15H18N2O3/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-10-19-6-7-20-11/h2-5,8,11,16H,6-7,9-10H2,1H3
InChIKeyPQMXCPXJQXSCQT-UHFFFAOYSA-N
XLogP1.37
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one?
The IUPAC name of 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one (CID 81243675) is 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one.
What is the SMILES notation for 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one?
The canonical SMILES for 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one is Cn1c(=O)cc(NCC2COCCO2)c2ccccc21.
What is the InChIKey of 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one?
The InChIKey is PQMXCPXJQXSCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-14-5-3-2-4-12(14)13(8-15(17)18)16-9-11-10-19-6-7-20-11/h2-5,8,11,16H,6-7,9-10H2,1H3.
What are the key properties of 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one?
4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-ylmethylamino)-1-methylquinolin-2-one is sourced from PubChem (CID 81243675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).