N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide

C25H25N3O3 — CID 3237492

IUPACN-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1
InChIInChI=1S/C25H25N3O3/c1-30-21-7-8-22-18(14-21)13-19-15-23(31-25(19)27-22)24(29)26-20-9-11-28(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-15,20H,9-12,16H2,1H3,(H,26,29)
InChIKeyOEZSBPDYCNVGAX-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.38
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide

N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide (PubChem CID 3237492) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide
PubChem CID3237492
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1
InChIInChI=1S/C25H25N3O3/c1-30-21-7-8-22-18(14-21)13-19-15-23(31-25(19)27-22)24(29)26-20-9-11-28(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-15,20H,9-12,16H2,1H3,(H,26,29)
InChIKeyOEZSBPDYCNVGAX-UHFFFAOYSA-N
XLogP4.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide (CID 3237492) is N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide is COc1ccc2nc3oc(C(=O)NC4CCN(Cc5ccccc5)CC4)cc3cc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide?
The InChIKey is OEZSBPDYCNVGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-21-7-8-22-18(14-21)13-19-15-23(31-25(19)27-22)24(29)26-20-9-11-28(12-10-20)16-17-5-3-2-4-6-17/h2-8,13-15,20H,9-12,16H2,1H3,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methoxyfuro[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 3237492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).