4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide

C33H37N3O2 — CID 10301006

IUPAC4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc3cccnc23)cc1)C(C)C
InChIInChI=1S/C33H37N3O2/c1-23(2)36(24(3)4)33(37)29-12-10-26(11-13-29)31(30-9-5-7-28-8-6-17-34-32(28)30)27-14-18-35(19-15-27)21-25-16-20-38-22-25/h5-13,16-17,20,22-24H,14-15,18-19,21H2,1-4H3
InChIKeyJFOCACBFZXCIAU-UHFFFAOYSA-N
MW507.68 g/mol
LogP7.18
Rot. Bonds7

About 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide

4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 10301006) has the molecular formula C33H37N3O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide
PubChem CID10301006
Molecular FormulaC33H37N3O2
Molecular Weight507.68 g/mol
Exact Mass507.29
IUPAC Name4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc3cccnc23)cc1)C(C)C
InChIInChI=1S/C33H37N3O2/c1-23(2)36(24(3)4)33(37)29-12-10-26(11-13-29)31(30-9-5-7-28-8-6-17-34-32(28)30)27-14-18-35(19-15-27)21-25-16-20-38-22-25/h5-13,16-17,20,22-24H,14-15,18-19,21H2,1-4H3
InChIKeyJFOCACBFZXCIAU-UHFFFAOYSA-N
XLogP7.18
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide (CID 10301006) is 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(C(=C2CCN(Cc3ccoc3)CC2)c2cccc3cccnc23)cc1)C(C)C.
What is the InChIKey of 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is JFOCACBFZXCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O2/c1-23(2)36(24(3)4)33(37)29-12-10-26(11-13-29)31(30-9-5-7-28-8-6-17-34-32(28)30)27-14-18-35(19-15-27)21-25-16-20-38-22-25/h5-13,16-17,20,22-24H,14-15,18-19,21H2,1-4H3.
What are the key properties of 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide?
4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 507.68 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 10301006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).