1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine

C18H24N2O3 — CID 77093431

IUPAC1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
SMILESCCOc1ccc2nc(CN(C)CC3COCCO3)ccc2c1
InChIInChI=1S/C18H24N2O3/c1-3-22-16-6-7-18-14(10-16)4-5-15(19-18)11-20(2)12-17-13-21-8-9-23-17/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyHKHHVIKBBYNRCR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.48
Rot. Bonds6

About 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine

1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine (PubChem CID 77093431) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
PubChem CID77093431
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine
SMILESCCOc1ccc2nc(CN(C)CC3COCCO3)ccc2c1
InChIInChI=1S/C18H24N2O3/c1-3-22-16-6-7-18-14(10-16)4-5-15(19-18)11-20(2)12-17-13-21-8-9-23-17/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyHKHHVIKBBYNRCR-UHFFFAOYSA-N
XLogP2.48
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
6-Methoxyquinaldine
CID 70648
6-Ethoxy-2-methylquinoline
CID 81118
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
8-(Benzyloxy)-2-methylquinoline
CID 737473
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398
N-n-hexyl-7-methoxytacrine hydrochloride
CID 52941983
5-[2-(4-Benzylpiperazin-1-yl)ethoxy]-2-methylquinoline
CID 24865538
1-(3,5-Dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 4879089
1-(6-Methoxy-2-methylquinolin-4-yl)piperidine-4-carboxamide
CID 4880286
(E)-8-(benzyloxy)quinoline-2-carbaldehyde oxime
CID 135436858
8-Methoxy-2,4-dimethyl-2,3-dihydrofuro[3,2-c]quinoline
CID 2877133

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine (CID 77093431) is 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine is CCOc1ccc2nc(CN(C)CC3COCCO3)ccc2c1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is HKHHVIKBBYNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-22-16-6-7-18-14(10-16)4-5-15(19-18)11-20(2)12-17-13-21-8-9-23-17/h4-7,10,17H,3,8-9,11-13H2,1-2H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine?
1-(1,4-dioxan-2-yl)-N-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 316.40 g/mol, XLogP of 2.48, 6 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-[(6-ethoxyquinolin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77093431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).