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

C20H22N2O3 — CID 4185459

IUPAC(3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1
InChIInChI=1S/C20H22N2O3/c1-12-6-13(2)11-22(10-12)20(23)18-8-15-7-14-4-5-16(24-3)9-17(14)21-19(15)25-18/h4-5,7-9,12-13H,6,10-11H2,1-3H3
InChIKeyXNCMBWIECGLVFO-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.11
Rot. Bonds2

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

(3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (PubChem CID 4185459) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
PubChem CID4185459
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
SMILESCOc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1
InChIInChI=1S/C20H22N2O3/c1-12-6-13(2)11-22(10-12)20(23)18-8-15-7-14-4-5-16(24-3)9-17(14)21-19(15)25-18/h4-5,7-9,12-13H,6,10-11H2,1-3H3
InChIKeyXNCMBWIECGLVFO-UHFFFAOYSA-N
XLogP4.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone (CID 4185459) is (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is COc1ccc2cc3cc(C(=O)N4CC(C)CC(C)C4)oc3nc2c1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
The InChIKey is XNCMBWIECGLVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12-6-13(2)11-22(10-12)20(23)18-8-15-7-14-4-5-16(24-3)9-17(14)21-19(15)25-18/h4-5,7-9,12-13H,6,10-11H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 4185459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).