3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one

C24H25FN6O4 — CID 1160811

About 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 1160811) has the molecular formula C24H25FN6O4 and a molecular weight of 480.50 g/mol. Its IUPAC name is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
• PubChem CID: 1160811
• Molecular Formula: C24H25FN6O4
• Molecular Weight: 480.50 g/mol
• Exact Mass: 480.19
• IUPAC Name: 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
• SMILES: COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2cc1OC
• InChI: InChI=1S/C24H25FN6O4/c1-33-20-12-16-11-18(24(32)26-19(16)13-21(20)34-2)22(30-7-9-35-10-8-30)23-27-28-29-31(23)14-15-3-5-17(25)6-4-15/h3-6,11-13,22H,7-10,14H2,1-2H3,(H,26,32)/t22-/m1/s1
• InChIKey: ZTKPSZQUDZOOTA-JOCHJYFZSA-N
• XLogP: 2.14
• TPSA: 107.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.50
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 1160811) is 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)c(=O)[nH]c2cc1OC.

What is the InChIKey of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?

The InChIKey is ZTKPSZQUDZOOTA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN6O4/c1-33-20-12-16-11-18(24(32)26-19(16)13-21(20)34-2)22(30-7-9-35-10-8-30)23-27-28-29-31(23)14-15-3-5-17(25)6-4-15/h3-6,11-13,22H,7-10,14H2,1-2H3,(H,26,32)/t22-/m1/s1.

What are the key properties of 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one?

3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 480.50 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 1160811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).