6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one

C19H25N6O4+ — CID 7273003

About 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one

6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one (PubChem CID 7273003) has the molecular formula C19H25N6O4+ and a molecular weight of 401.45 g/mol. Its IUPAC name is 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
• PubChem CID: 7273003
• Molecular Formula: C19H25N6O4+
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.19
• IUPAC Name: 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one
• SMILES: COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCOCC1
• InChI: InChI=1S/C19H24N6O4/c1-27-8-7-25-18(21-22-23-25)17(24-5-9-29-10-6-24)15-12-13-11-14(28-2)3-4-16(13)20-19(15)26/h3-4,11-12,17H,5-10H2,1-2H3,(H,20,26)/p+1/t17-/m0/s1
• InChIKey: YHCZMHNUWAOMAS-KRWDZBQOSA-O
• XLogP: -0.83
• TPSA: 108.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	-0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?

The IUPAC name of 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one (CID 7273003) is 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?

The canonical SMILES for 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one is COCCn1nnnc1[C@H](c1cc2cc(OC)ccc2[nH]c1=O)[NH+]1CCOCC1.

What is the InChIKey of 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?

The InChIKey is YHCZMHNUWAOMAS-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H24N6O4/c1-27-8-7-25-18(21-22-23-25)17(24-5-9-29-10-6-24)15-12-13-11-14(28-2)3-4-16(13)20-19(15)26/h3-4,11-12,17H,5-10H2,1-2H3,(H,20,26)/p+1/t17-/m0/s1.

What are the key properties of 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one?

6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one has a molecular weight of 401.45 g/mol, XLogP of -0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-3-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 7273003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).