2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one

C18H24N2O3 — CID 72845496

IUPAC2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN(C)CC3COCCO3)cc(=O)c2c1
InChIInChI=1S/C18H24N2O3/c1-12-6-13(2)18-16(7-12)17(21)8-14(19-18)9-20(3)10-15-11-22-4-5-23-15/h6-8,15H,4-5,9-11H2,1-3H3,(H,19,21)
InChIKeyPJJXEZMTCRVRRW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.99
Rot. Bonds4

About 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one

2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one (PubChem CID 72845496) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
PubChem CID72845496
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCc1cc(C)c2[nH]c(CN(C)CC3COCCO3)cc(=O)c2c1
InChIInChI=1S/C18H24N2O3/c1-12-6-13(2)18-16(7-12)17(21)8-14(19-18)9-20(3)10-15-11-22-4-5-23-15/h6-8,15H,4-5,9-11H2,1-3H3,(H,19,21)
InChIKeyPJJXEZMTCRVRRW-UHFFFAOYSA-N
XLogP1.99
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one (CID 72845496) is 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one is Cc1cc(C)c2[nH]c(CN(C)CC3COCCO3)cc(=O)c2c1.
What is the InChIKey of 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The InChIKey is PJJXEZMTCRVRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-6-13(2)18-16(7-12)17(21)8-14(19-18)9-20(3)10-15-11-22-4-5-23-15/h6-8,15H,4-5,9-11H2,1-3H3,(H,19,21).
What are the key properties of 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one has a molecular weight of 316.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,4-dioxan-2-ylmethyl(methyl)amino]methyl]-6,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 72845496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).