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

C27H34N6O3 — CID 51668104

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

3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 51668104) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
• PubChem CID: 51668104
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
• SMILES: Cc1ccc2cc(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C
• InChI: InChI=1S/C27H34N6O3/c1-17(2)25(26-29-30-31-33(26)16-23-8-6-12-36-23)32(15-22-7-5-11-35-22)14-21-13-20-10-9-18(3)19(4)24(20)28-27(21)34/h6,8-10,12-13,17,22,25H,5,7,11,14-16H2,1-4H3,(H,28,34)/t22-,25-/m1/s1
• InChIKey: DUDJQILKWMQZMJ-RCZVLFRGSA-N
• XLogP: 4.15
• TPSA: 102.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 51668104) is 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one.

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

The canonical SMILES for 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(CN(C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C.

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

The InChIKey is DUDJQILKWMQZMJ-RCZVLFRGSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17(2)25(26-29-30-31-33(26)16-23-8-6-12-36-23)32(15-22-7-5-11-35-22)14-21-13-20-10-9-18(3)19(4)24(20)28-27(21)34/h6,8-10,12-13,17,22,25H,5,7,11,14-16H2,1-4H3,(H,28,34)/t22-,25-/m1/s1.

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

3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 490.61 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 51668104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).