1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine

C25H30N2O3 — CID 45170838

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine
SMILESCc1ccc2nc(OCc3ccccc3C)c(CN(C)CC3COCCO3)cc2c1
InChIInChI=1S/C25H30N2O3/c1-18-8-9-24-21(12-18)13-22(14-27(3)15-23-17-28-10-11-29-23)25(26-24)30-16-20-7-5-4-6-19(20)2/h4-9,12-13,23H,10-11,14-17H2,1-3H3
InChIKeyVBZXEHFTGXVHJV-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.28
Rot. Bonds7

About 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine

1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine (PubChem CID 45170838) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine
PubChem CID45170838
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine
SMILESCc1ccc2nc(OCc3ccccc3C)c(CN(C)CC3COCCO3)cc2c1
InChIInChI=1S/C25H30N2O3/c1-18-8-9-24-21(12-18)13-22(14-27(3)15-23-17-28-10-11-29-23)25(26-24)30-16-20-7-5-4-6-19(20)2/h4-9,12-13,23H,10-11,14-17H2,1-3H3
InChIKeyVBZXEHFTGXVHJV-UHFFFAOYSA-N
XLogP4.28
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine (CID 45170838) is 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine is Cc1ccc2nc(OCc3ccccc3C)c(CN(C)CC3COCCO3)cc2c1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine?
The InChIKey is VBZXEHFTGXVHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-8-9-24-21(12-18)13-22(14-27(3)15-23-17-28-10-11-29-23)25(26-24)30-16-20-7-5-4-6-19(20)2/h4-9,12-13,23H,10-11,14-17H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine has a molecular weight of 406.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]methanamine is sourced from PubChem (CID 45170838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).