1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid

C21H26FN3O5 — CID 139765658

IUPAC1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1c(N2CCOC(CNC)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H26FN3O5/c1-3-29-20-17-14(19(26)15(21(27)28)11-25(17)12-4-5-12)8-16(22)18(20)24-6-7-30-13(10-24)9-23-2/h8,11-13,23H,3-7,9-10H2,1-2H3,(H,27,28)
InChIKeyKBGWDCJIWIWSMD-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.00
Rot. Bonds7

About 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 139765658) has the molecular formula C21H26FN3O5 and a molecular weight of 419.45 g/mol. Its IUPAC name is 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID139765658
Molecular FormulaC21H26FN3O5
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCCOc1c(N2CCOC(CNC)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H26FN3O5/c1-3-29-20-17-14(19(26)15(21(27)28)11-25(17)12-4-5-12)8-16(22)18(20)24-6-7-30-13(10-24)9-23-2/h8,11-13,23H,3-7,9-10H2,1-2H3,(H,27,28)
InChIKeyKBGWDCJIWIWSMD-UHFFFAOYSA-N
XLogP2.00
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-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

1-cyclopropyl-7-[3-[1-(dimethylamino)ethyl]pyrrolidin-1-yl]-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19046008
1-cyclopropyl-7-[2-[(dimethylamino)methyl]morpholin-4-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 14652598
1-cyclopropyl-8-ethoxy-6-fluoro-7-[(3R)-3-[(1S)-1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 57267803
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid;dihydrate
CID 6918202
benzenesulfonic acid;1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 42624254
7-[(4aS,7R,7aS)-2,2,3,7,7a-pentamethyl-1,3,4,4a,5,7-hexahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid;molecular hydrogen
CID 159118708
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)-4-propylpyrrolidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143016180
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
7-[(3S)-3-aminopiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 11047030
1-cyclopropyl-6-fluoro-7-[4-(1-hydroxy-2-methoxyethyl)piperidin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143016382

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid (CID 139765658) is 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid is CCOc1c(N2CCOC(CNC)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KBGWDCJIWIWSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O5/c1-3-29-20-17-14(19(26)15(21(27)28)11-25(17)12-4-5-12)8-16(22)18(20)24-6-7-30-13(10-24)9-23-2/h8,11-13,23H,3-7,9-10H2,1-2H3,(H,27,28).
What are the key properties of 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 419.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-ethoxy-6-fluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 139765658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).