5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

C19H21FN4O3 — CID 19429305

IUPAC5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESC=C1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1N
InChIInChI=1S/C19H21FN4O3/c1-8-5-23(7-12(8)21)17-9(2)16-13(15(22)14(17)20)18(25)11(19(26)27)6-24(16)10-3-4-10/h6,10,12H,1,3-5,7,21-22H2,2H3,(H,26,27)
InChIKeyMJDOWVSRFJXAHU-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.77
Rot. Bonds3

About 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 19429305) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID19429305
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESC=C1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1N
InChIInChI=1S/C19H21FN4O3/c1-8-5-23(7-12(8)21)17-9(2)16-13(15(22)14(17)20)18(25)11(19(26)27)6-24(16)10-3-4-10/h6,10,12H,1,3-5,7,21-22H2,2H3,(H,26,27)
InChIKeyMJDOWVSRFJXAHU-UHFFFAOYSA-N
XLogP1.77
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10738164
5-amino-7-[(4R)-4-amino-3,3-dimethylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10524326
5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10571433
5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 11741218
5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 10623834
5-amino-1-cyclopropyl-8-fluoro-6-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 142629253
5-amino-1-cyclopropyl-7-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 1398733
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6-(18F)fluoro-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 11618070
5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 3025927
5-amino-7-(3-amino-4-methoxypyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 19820626
5-amino-7-[(1S,2R,5S,6S)-6-amino-2-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 18648908
7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 14651174

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 19429305) is 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is C=C1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)CC1N.
What is the InChIKey of 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MJDOWVSRFJXAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-8-5-23(7-12(8)21)17-9(2)16-13(15(22)14(17)20)18(25)11(19(26)27)6-24(16)10-3-4-10/h6,10,12H,1,3-5,7,21-22H2,2H3,(H,26,27).
What are the key properties of 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid?
5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-(3-amino-4-methylidenepyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19429305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).