(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone

C20H22N2O2 — CID 3235923

IUPAC(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1
InChIInChI=1S/C20H22N2O2/c1-12-4-5-15-8-16-9-18(24-19(16)21-17(15)7-12)20(23)22-10-13(2)6-14(3)11-22/h4-5,7-9,13-14H,6,10-11H2,1-3H3
InChIKeyAUFBVOVJVSOTSB-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.41
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 3235923) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID3235923
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1
InChIInChI=1S/C20H22N2O2/c1-12-4-5-15-8-16-9-18(24-19(16)21-17(15)7-12)20(23)22-10-13(2)6-14(3)11-22/h4-5,7-9,13-14H,6,10-11H2,1-3H3
InChIKeyAUFBVOVJVSOTSB-UHFFFAOYSA-N
XLogP4.41
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone (CID 3235923) is (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone is Cc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is AUFBVOVJVSOTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12-4-5-15-8-16-9-18(24-19(16)21-17(15)7-12)20(23)22-10-13(2)6-14(3)11-22/h4-5,7-9,13-14H,6,10-11H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(7-methylfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 3235923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).