cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate

C24H26FN3O7 — CID 90387544

IUPACcyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCOc1c(N2CCN(Cc3oc(=O)oc3C)C(C)C2)c(F)cc2c(=O)c(C(=O)OC3CC3)c[nH]c12
InChIInChI=1S/C24H26FN3O7/c1-12-10-28(7-6-27(12)11-18-13(2)33-24(31)35-18)20-17(25)8-15-19(22(20)32-3)26-9-16(21(15)29)23(30)34-14-4-5-14/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,26,29)
InChIKeyQWSOLTPISCJFTF-UHFFFAOYSA-N
MW487.48 g/mol
LogP2.56
Rot. Bonds6

About cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate

cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 90387544) has the molecular formula C24H26FN3O7 and a molecular weight of 487.48 g/mol. Its IUPAC name is cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namecyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID90387544
Molecular FormulaC24H26FN3O7
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Namecyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate
SMILESCOc1c(N2CCN(Cc3oc(=O)oc3C)C(C)C2)c(F)cc2c(=O)c(C(=O)OC3CC3)c[nH]c12
InChIInChI=1S/C24H26FN3O7/c1-12-10-28(7-6-27(12)11-18-13(2)33-24(31)35-18)20-17(25)8-15-19(22(20)32-3)26-9-16(21(15)29)23(30)34-14-4-5-14/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,26,29)
InChIKeyQWSOLTPISCJFTF-UHFFFAOYSA-N
XLogP2.56
TPSA118.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-cyclopropyl-6,8-difluoro-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70382754
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate
CID 90389541
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(2-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 54771367
1-cyclopropyl-6-fluoro-7-[4-[(2E)-2-hydroxyiminopropyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771587
[2-[(8R,9R,10S,11R,13R,14R,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-cyclopropyl-7-[4-[[1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 90388329
methyl 1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
CID 143406870
7-(3-amino-4-methylpiperidin-1-yl)-6-cyclopropyl-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 70278208
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 54771817
4-O-[1,3-bis[[1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyloxy]propan-2-yl] 1-O-[2-[(8R,10S,11R,13R,14R,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanedioate
CID 140652591
7-[(4aS,7aS)-1-[(2-oxo-5-phenyl-1,3-dioxol-4-yl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 59845513
6-fluoro-8-methoxy-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1-phenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14721220
6,8-difluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14721213

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate (CID 90387544) is cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate is COc1c(N2CCN(Cc3oc(=O)oc3C)C(C)C2)c(F)cc2c(=O)c(C(=O)OC3CC3)c[nH]c12.
What is the InChIKey of cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is QWSOLTPISCJFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O7/c1-12-10-28(7-6-27(12)11-18-13(2)33-24(31)35-18)20-17(25)8-15-19(22(20)32-3)26-9-16(21(15)29)23(30)34-14-4-5-14/h8-9,12,14H,4-7,10-11H2,1-3H3,(H,26,29).
What are the key properties of cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate?
cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 487.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 6-fluoro-8-methoxy-7-[3-methyl-4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 90387544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).