3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one

C27H23FN6O2 — CID 1160049

About 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one

3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 1160049) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
• PubChem CID: 1160049
• Molecular Formula: C27H23FN6O2
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.19
• IUPAC Name: 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
• SMILES: COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCc4ccccc43)c(=O)[nH]c2c1
• InChI: InChI=1S/C27H23FN6O2/c1-36-21-11-8-19-14-22(27(35)29-23(19)15-21)25(33-13-12-18-4-2-3-5-24(18)33)26-30-31-32-34(26)16-17-6-9-20(28)10-7-17/h2-11,14-15,25H,12-13,16H2,1H3,(H,29,35)/t25-/m1/s1
• InChIKey: PYLPRBZECFCUPR-RUZDIDTESA-N
• XLogP: 3.86
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one (CID 1160049) is 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one.

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

The canonical SMILES for 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CCc4ccccc43)c(=O)[nH]c2c1.

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

The InChIKey is PYLPRBZECFCUPR-RUZDIDTESA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-36-21-11-8-19-14-22(27(35)29-23(19)15-21)25(33-13-12-18-4-2-3-5-24(18)33)26-30-31-32-34(26)16-17-6-9-20(28)10-7-17/h2-11,14-15,25H,12-13,16H2,1H3,(H,29,35)/t25-/m1/s1.

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

3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 482.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 1160049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).