6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline

C17H22N2O3 — CID 122152929

IUPAC6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
SMILESCOc1cc2nccc(N3CCC(OC)CC3)c2cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-12-5-8-19(9-6-12)15-4-7-18-14-11-17(22-3)16(21-2)10-13(14)15/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyQNOYJWHHAVXZHH-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.87
Rot. Bonds4

About 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline

6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline (PubChem CID 122152929) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
PubChem CID122152929
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
SMILESCOc1cc2nccc(N3CCC(OC)CC3)c2cc1OC
InChIInChI=1S/C17H22N2O3/c1-20-12-5-8-19(9-6-12)15-4-7-18-14-11-17(22-3)16(21-2)10-13(14)15/h4,7,10-12H,5-6,8-9H2,1-3H3
InChIKeyQNOYJWHHAVXZHH-UHFFFAOYSA-N
XLogP2.87
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline (CID 122152929) is 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline is COc1cc2nccc(N3CCC(OC)CC3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline?
The InChIKey is QNOYJWHHAVXZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-20-12-5-8-19(9-6-12)15-4-7-18-14-11-17(22-3)16(21-2)10-13(14)15/h4,7,10-12H,5-6,8-9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline?
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline has a molecular weight of 302.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline is sourced from PubChem (CID 122152929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).