1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide

C19H20F2N2O5S — CID 41129514

IUPAC1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cn(C3CC3)c12
InChIInChI=1S/C19H20F2N2O5S/c1-22(11-5-6-29(26,27)9-11)19(25)13-8-23(10-3-4-10)16-12(17(13)24)7-14(20)15(21)18(16)28-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyMGCUKXPDRONPHN-LLVKDONJSA-N
MW426.44 g/mol
LogP1.88
Rot. Bonds4

About 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide

1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 41129514) has the molecular formula C19H20F2N2O5S and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID41129514
Molecular FormulaC19H20F2N2O5S
Molecular Weight426.44 g/mol
Exact Mass426.11
IUPAC Name1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCOc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cn(C3CC3)c12
InChIInChI=1S/C19H20F2N2O5S/c1-22(11-5-6-29(26,27)9-11)19(25)13-8-23(10-3-4-10)16-12(17(13)24)7-14(20)15(21)18(16)28-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyMGCUKXPDRONPHN-LLVKDONJSA-N
XLogP1.88
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide 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-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxamide
CID 24952472
1-cyclopropyl-6,7-difluoro-8-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinoline-3-carboxamide
CID 167956724
N-(1,1-dioxothiolan-3-yl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380416
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
7-(1-carboxycyclohexyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 19072269
5-amino-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N,3-dimethylbenzamide
CID 103295992
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(2-oxopropyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 54771367
difluoroboranyl 6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylate
CID 12993653
difluoroboranyl 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 15282972

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide (CID 41129514) is 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide is COc1c(F)c(F)cc2c(=O)c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is MGCUKXPDRONPHN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20F2N2O5S/c1-22(11-5-6-29(26,27)9-11)19(25)13-8-23(10-3-4-10)16-12(17(13)24)7-14(20)15(21)18(16)28-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide?
1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-6,7-difluoro-8-methoxy-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 41129514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).