(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

C25H22F2N2O3S — CID 154832079

About (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (PubChem CID 154832079) has the molecular formula C25H22F2N2O3S and a molecular weight of 468.53 g/mol. Its IUPAC name is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.

Molecular Properties

• Compound Name: (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
• PubChem CID: 154832079
• Molecular Formula: C25H22F2N2O3S
• Molecular Weight: 468.53 g/mol
• Exact Mass: 468.13
• IUPAC Name: (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone
• SMILES: CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1
• InChI: InChI=1S/C25H22F2N2O3S/c1-16-12-17-6-2-3-10-23(17)29(16)33(31,32)20-9-4-7-19(13-20)25(30)28-11-5-8-18-14-21(26)22(27)15-24(18)28/h2-4,6-7,9-10,13-16H,5,8,11-12H2,1H3
• InChIKey: GZMUDZMXEMCZQS-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 57.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.53
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The IUPAC name of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone (CID 154832079) is (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone.

What is the SMILES notation for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The canonical SMILES for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CCCc3cc(F)c(F)cc32)c1.

What is the InChIKey of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

The InChIKey is GZMUDZMXEMCZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3S/c1-16-12-17-6-2-3-10-23(17)29(16)33(31,32)20-9-4-7-19(13-20)25(30)28-11-5-8-18-14-21(26)22(27)15-24(18)28/h2-4,6-7,9-10,13-16H,5,8,11-12H2,1H3.

What are the key properties of (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone?

(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone has a molecular weight of 468.53 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanone is sourced from PubChem (CID 154832079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).