6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one

C20H29N7O3+2 — CID 7272999

About 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one

6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 7272999) has the molecular formula C20H29N7O3+2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one
• PubChem CID: 7272999
• Molecular Formula: C20H29N7O3+2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.23
• IUPAC Name: 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one
• SMILES: COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CC[NH+](C)CC1
• InChI: InChI=1S/C20H27N7O3/c1-25-6-8-26(9-7-25)18(19-22-23-24-27(19)10-11-29-2)16-13-14-12-15(30-3)4-5-17(14)21-20(16)28/h4-5,12-13,18H,6-11H2,1-3H3,(H,21,28)/p+2/t18-/m1/s1
• InChIKey: PZGFCWHJHFNPAT-GOSISDBHSA-P
• XLogP: -2.33
• TPSA: 103.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	-2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one?

The IUPAC name of 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one (CID 7272999) is 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one?

The canonical SMILES for 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one is COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CC[NH+](C)CC1.

What is the InChIKey of 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one?

The InChIKey is PZGFCWHJHFNPAT-GOSISDBHSA-P. The full InChI is InChI=1S/C20H27N7O3/c1-25-6-8-26(9-7-25)18(19-22-23-24-27(19)10-11-29-2)16-13-14-12-15(30-3)4-5-17(14)21-20(16)28/h4-5,12-13,18H,6-11H2,1-3H3,(H,21,28)/p+2/t18-/m1/s1.

What are the key properties of 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one?

6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 415.50 g/mol, XLogP of -2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 7272999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).