5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid

About 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid

5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 20741430) has the molecular formula C24H25F2N5O3 and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name	5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID	20741430
Molecular Formula	C24H25F2N5O3
Molecular Weight	469.49 g/mol
Exact Mass	469.19
IUPAC Name	5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILES	Cc1c(N2CC[C@@H](C(N)c3cccnc3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12
InChI	InChI=1S/C24H25F2N5O3/c1-11-21-17(23(32)14(24(33)34)10-31(21)16-7-15(16)25)20(28)18(26)22(11)30-6-4-13(9-30)19(27)12-3-2-5-29-8-12/h2-3,5,8,10,13,15-16,19H,4,6-7,9,27-28H2,1H3,(H,33,34)/t13-,15+,16-,19?/m1/s1
InChIKey	MYTLHESXCOQJFD-JXGMNQTDSA-N
XLogP	2.93
TPSA	127.47 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 20741430) is 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(N2CC[C@@H](C(N)c3cccnc3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12.

What is the InChIKey of 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

The InChIKey is MYTLHESXCOQJFD-JXGMNQTDSA-N. The full InChI is InChI=1S/C24H25F2N5O3/c1-11-21-17(23(32)14(24(33)34)10-31(21)16-7-15(16)25)20(28)18(26)22(11)30-6-4-13(9-30)19(27)12-3-2-5-29-8-12/h2-3,5,8,10,13,15-16,19H,4,6-7,9,27-28H2,1H3,(H,33,34)/t13-,15+,16-,19?/m1/s1.

What are the key properties of 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid?

5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 469.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-7-[(3R)-3-[amino(pyridin-3-yl)methyl]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 20741430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).