5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine

C16H23N3O2 — CID 82250557

IUPAC5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1c(C)nc2c(OC)ccc(OC)c2c1N(C)C
InChIInChI=1S/C16H23N3O2/c1-10-11(9-17-2)16(19(3)4)14-12(20-5)7-8-13(21-6)15(14)18-10/h7-8,17H,9H2,1-6H3
InChIKeyMFTIULIZPHSDAY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds5

About 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine

5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine (PubChem CID 82250557) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine.

Molecular Properties

Compound Name5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
PubChem CID82250557
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine
SMILESCNCc1c(C)nc2c(OC)ccc(OC)c2c1N(C)C
InChIInChI=1S/C16H23N3O2/c1-10-11(9-17-2)16(19(3)4)14-12(20-5)7-8-13(21-6)15(14)18-10/h7-8,17H,9H2,1-6H3
InChIKeyMFTIULIZPHSDAY-UHFFFAOYSA-N
XLogP2.35
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The IUPAC name of 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine (CID 82250557) is 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine.
What is the SMILES notation for 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The canonical SMILES for 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine is CNCc1c(C)nc2c(OC)ccc(OC)c2c1N(C)C.
What is the InChIKey of 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
The InChIKey is MFTIULIZPHSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-11(9-17-2)16(19(3)4)14-12(20-5)7-8-13(21-6)15(14)18-10/h7-8,17H,9H2,1-6H3.
What are the key properties of 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine?
5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-N,N,2-trimethyl-3-(methylaminomethyl)quinolin-4-amine is sourced from PubChem (CID 82250557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).