3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

C26H25FN6O2 — CID 1463902

About 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 1463902) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 1463902
• Molecular Formula: C26H25FN6O2
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.20
• IUPAC Name: 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C
• InChI: InChI=1S/C26H25FN6O2/c1-17-5-8-20-12-21(26(34)28-25(20)18(17)2)14-32(15-23-4-3-11-35-23)16-24-29-30-31-33(24)13-19-6-9-22(27)10-7-19/h3-12H,13-16H2,1-2H3,(H,28,34)
• InChIKey: LAZIVXPOQZNQKC-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 1463902) is 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1C.

What is the InChIKey of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?

The InChIKey is LAZIVXPOQZNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-17-5-8-20-12-21(26(34)28-25(20)18(17)2)14-32(15-23-4-3-11-35-23)16-24-29-30-31-33(24)13-19-6-9-22(27)10-7-19/h3-12H,13-16H2,1-2H3,(H,28,34).

What are the key properties of 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one?

3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 472.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(furan-2-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1463902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).