7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride

C19H22ClF2N3O3 — CID 14651207

About 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride

7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride (PubChem CID 14651207) has the molecular formula C19H22ClF2N3O3 and a molecular weight of 413.85 g/mol. Its IUPAC name is 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
• PubChem CID: 14651207
• Molecular Formula: C19H22ClF2N3O3
• Molecular Weight: 413.85 g/mol
• Exact Mass: 413.13
• IUPAC Name: 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride
• SMILES: Cc1c(F)c(N2CC(C)C(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1.Cl
• InChI: InChI=1S/C19H21F2N3O3.ClH/c1-8-5-23(7-12(8)22)17-14(20)9(2)13-16(15(17)21)24(10-3-4-10)6-11(18(13)25)19(26)27;/h6,8,10,12H,3-5,7,22H2,1-2H3,(H,26,27);1H
• InChIKey: RDEJHHWVHAKINB-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 88.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.85
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride (CID 14651207) is 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride is Cc1c(F)c(N2CC(C)C(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1.Cl.

What is the InChIKey of 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?

The InChIKey is RDEJHHWVHAKINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3.ClH/c1-8-5-23(7-12(8)22)17-14(20)9(2)13-16(15(17)21)24(10-3-4-10)6-11(18(13)25)19(26)27;/h6,8,10,12H,3-5,7,22H2,1-2H3,(H,26,27);1H.

What are the key properties of 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride?

7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride has a molecular weight of 413.85 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-amino-4-methylpyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 14651207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).