3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one

C30H32N6O3 — CID 3187807

About 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one

3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3187807) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one
• PubChem CID: 3187807
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one
• SMILES: CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccco3)cc2c1
• InChI: InChI=1S/C30H32N6O3/c1-2-38-24-14-15-27-22(17-24)18-26(30(37)31-27)28(29-32-33-34-36(29)23-11-6-7-12-23)35(20-25-13-8-16-39-25)19-21-9-4-3-5-10-21/h3-5,8-10,13-18,23,28H,2,6-7,11-12,19-20H2,1H3,(H,31,37)
• InChIKey: BRVIMHNYDJPHMZ-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 102.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one?

The IUPAC name of 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one (CID 3187807) is 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one.

What is the SMILES notation for 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one?

The canonical SMILES for 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccco3)cc2c1.

What is the InChIKey of 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one?

The InChIKey is BRVIMHNYDJPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-2-38-24-14-15-27-22(17-24)18-26(30(37)31-27)28(29-32-33-34-36(29)23-11-6-7-12-23)35(20-25-13-8-16-39-25)19-21-9-4-3-5-10-21/h3-5,8-10,13-18,23,28H,2,6-7,11-12,19-20H2,1H3,(H,31,37).

What are the key properties of 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one?

3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 524.63 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3187807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).