5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

About 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 54429777) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name	5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID	54429777
Molecular Formula	C22H29FN4O4
Molecular Weight	432.50 g/mol
Exact Mass	432.22
IUPAC Name	5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILES	CCN[C@H](C)[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1
InChI	InChI=1S/C22H29FN4O4/c1-4-25-11(2)12-7-8-26(9-12)19-16(23)17(24)15-18(21(19)31-3)27(13-5-6-13)10-14(20(15)28)22(29)30/h10-13,25H,4-9,24H2,1-3H3,(H,29,30)/t11-,12-/m1/s1
InChIKey	WGQQRYQEZCCYKU-VXGBXAGGSA-N
XLogP	2.59
TPSA	109.82 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	2.59
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-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The IUPAC name of 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 54429777) is 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid.

What is the SMILES notation for 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The canonical SMILES for 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is CCN[C@H](C)[C@@H]1CCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1.

What is the InChIKey of 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

The InChIKey is WGQQRYQEZCCYKU-VXGBXAGGSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-4-25-11(2)12-7-8-26(9-12)19-16(23)17(24)15-18(21(19)31-3)27(13-5-6-13)10-14(20(15)28)22(29)30/h10-13,25H,4-9,24H2,1-3H3,(H,29,30)/t11-,12-/m1/s1.

What are the key properties of 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid?

5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 432.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-cyclopropyl-7-[(3R)-3-[(1R)-1-(ethylamino)ethyl]pyrrolidin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54429777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).