6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine

C18H25N3O — CID 110434275

IUPAC6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N(C)C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H25N3O/c1-13-11-18(21(3)14-7-9-20(2)10-8-14)16-12-15(22-4)5-6-17(16)19-13/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyBHYAPELMGFJUPU-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.08
Rot. Bonds3

About 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine

6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine (PubChem CID 110434275) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
PubChem CID110434275
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(N(C)C3CCN(C)CC3)c2c1
InChIInChI=1S/C18H25N3O/c1-13-11-18(21(3)14-7-9-20(2)10-8-14)16-12-15(22-4)5-6-17(16)19-13/h5-6,11-12,14H,7-10H2,1-4H3
InChIKeyBHYAPELMGFJUPU-UHFFFAOYSA-N
XLogP3.08
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The IUPAC name of 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine (CID 110434275) is 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The canonical SMILES for 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine is COc1ccc2nc(C)cc(N(C)C3CCN(C)CC3)c2c1.
What is the InChIKey of 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
The InChIKey is BHYAPELMGFJUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-11-18(21(3)14-7-9-20(2)10-8-14)16-12-15(22-4)5-6-17(16)19-13/h5-6,11-12,14H,7-10H2,1-4H3.
What are the key properties of 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine?
6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine has a molecular weight of 299.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2-dimethyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine is sourced from PubChem (CID 110434275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).