7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

C35H33ClFN7O4 — CID 156848136

About 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid

7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid (PubChem CID 156848136) has the molecular formula C35H33ClFN7O4 and a molecular weight of 670.15 g/mol. Its IUPAC name is 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
• PubChem CID: 156848136
• Molecular Formula: C35H33ClFN7O4
• Molecular Weight: 670.15 g/mol
• Exact Mass: 669.23
• IUPAC Name: 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
• SMILES: CN(C)C1CN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CC(c6cccnc6)C[C@@H]5COc5ncccc5Cl)cc43)cn2)C1
• InChI: InChI=1S/C35H33ClFN7O4/c1-41(2)25-17-42(18-25)32-8-7-23(15-40-32)44-19-27(35(46)47)33(45)26-12-29(37)31(13-30(26)44)43-16-22(21-5-3-9-38-14-21)11-24(43)20-48-34-28(36)6-4-10-39-34/h3-10,12-15,19,22,24-25H,11,16-18,20H2,1-2H3,(H,46,47)/t22?,24-/m1/s1
• InChIKey: MEYNZDAMGMXEDH-SYIFMXBLSA-N
• XLogP: 4.86
• TPSA: 116.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.15
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid (CID 156848136) is 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid is CN(C)C1CN(c2ccc(-n3cc(C(=O)O)c(=O)c4cc(F)c(N5CC(c6cccnc6)C[C@@H]5COc5ncccc5Cl)cc43)cn2)C1.

What is the InChIKey of 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?

The InChIKey is MEYNZDAMGMXEDH-SYIFMXBLSA-N. The full InChI is InChI=1S/C35H33ClFN7O4/c1-41(2)25-17-42(18-25)32-8-7-23(15-40-32)44-19-27(35(46)47)33(45)26-12-29(37)31(13-30(26)44)43-16-22(21-5-3-9-38-14-21)11-24(43)20-48-34-28(36)6-4-10-39-34/h3-10,12-15,19,22,24-25H,11,16-18,20H2,1-2H3,(H,46,47)/t22?,24-/m1/s1.

What are the key properties of 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid?

7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid has a molecular weight of 670.15 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2R)-2-[(3-chloro-2-pyridinyl)oxymethyl]-4-pyridin-3-ylpyrrolidin-1-yl]-1-[6-[3-(dimethylamino)azetidin-1-yl]-3-pyridinyl]-6-fluoro-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 156848136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).