3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

C27H26N6O2 — CID 50935455

About 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 50935455) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
• PubChem CID: 50935455
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
• SMILES: Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2cc1C
• InChI: InChI=1S/C27H26N6O2/c1-16-11-20-14-22(27(34)28-23(20)12-17(16)2)25(33-18(3)13-19-7-4-5-9-24(19)33)26-29-30-31-32(26)15-21-8-6-10-35-21/h4-12,14,18,25H,13,15H2,1-3H3,(H,28,34)/t18-,25-/m1/s1
• InChIKey: CCOLSCUANOEKOH-IQGLISFBSA-N
• XLogP: 4.31
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?

The IUPAC name of 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 50935455) is 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

What is the SMILES notation for 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?

The canonical SMILES for 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is Cc1cc2cc([C@H](c3nnnn3Cc3ccco3)N3c4ccccc4C[C@H]3C)c(=O)[nH]c2cc1C.

What is the InChIKey of 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?

The InChIKey is CCOLSCUANOEKOH-IQGLISFBSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-16-11-20-14-22(27(34)28-23(20)12-17(16)2)25(33-18(3)13-19-7-4-5-9-24(19)33)26-29-30-31-32(26)15-21-8-6-10-35-21/h4-12,14,18,25H,13,15H2,1-3H3,(H,28,34)/t18-,25-/m1/s1.

What are the key properties of 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?

3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 466.55 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 50935455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).