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

C30H26FN7O2 — CID 3150087

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

3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 3150087) has the molecular formula C30H26FN7O2 and a molecular weight of 535.58 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
• PubChem CID: 3150087
• Molecular Formula: C30H26FN7O2
• Molecular Weight: 535.58 g/mol
• Exact Mass: 535.21
• IUPAC Name: 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(C(c3nnnn3Cc3ccc(F)cc3)N(Cc3cccnc3)Cc3ccco3)c(=O)[nH]c2c1
• InChI: InChI=1S/C30H26FN7O2/c1-20-6-9-23-15-26(30(39)33-27(23)14-20)28(29-34-35-36-38(29)18-21-7-10-24(31)11-8-21)37(19-25-5-3-13-40-25)17-22-4-2-12-32-16-22/h2-16,28H,17-19H2,1H3,(H,33,39)
• InChIKey: XZOXQIFQMFPOPU-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.58
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one (CID 3150087) is 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(C(c3nnnn3Cc3ccc(F)cc3)N(Cc3cccnc3)Cc3ccco3)c(=O)[nH]c2c1.

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

The InChIKey is XZOXQIFQMFPOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O2/c1-20-6-9-23-15-26(30(39)33-27(23)14-20)28(29-34-35-36-38(29)18-21-7-10-24(31)11-8-21)37(19-25-5-3-13-40-25)17-22-4-2-12-32-16-22/h2-16,28H,17-19H2,1H3,(H,33,39).

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

3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 535.58 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3150087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).