3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

C29H29N7O3 — CID 25410702

About 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one (PubChem CID 25410702) has the molecular formula C29H29N7O3 and a molecular weight of 523.60 g/mol. Its IUPAC name is 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
• PubChem CID: 25410702
• Molecular Formula: C29H29N7O3
• Molecular Weight: 523.60 g/mol
• Exact Mass: 523.23
• IUPAC Name: 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one
• SMILES: Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12
• InChI: InChI=1S/C29H29N7O3/c1-20-7-5-10-22-19-23(28(37)30-25(20)22)26(27-31-32-33-36(27)13-12-21-8-3-2-4-9-21)34-14-16-35(17-15-34)29(38)24-11-6-18-39-24/h2-11,18-19,26H,12-17H2,1H3,(H,30,37)/t26-/m1/s1
• InChIKey: SWGXCSOPIZFQFX-AREMUKBSSA-N
• XLogP: 3.21
• TPSA: 113.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.60
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one (CID 25410702) is 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12.

What is the InChIKey of 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

The InChIKey is SWGXCSOPIZFQFX-AREMUKBSSA-N. The full InChI is InChI=1S/C29H29N7O3/c1-20-7-5-10-22-19-23(28(37)30-25(20)22)26(27-31-32-33-36(27)13-12-21-8-3-2-4-9-21)34-14-16-35(17-15-34)29(38)24-11-6-18-39-24/h2-11,18-19,26H,12-17H2,1H3,(H,30,37)/t26-/m1/s1.

What are the key properties of 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one?

3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one has a molecular weight of 523.60 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 25410702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).